SCHEMBL17375353

SCHEMBL17375353

COC(=O)c1cn2c(n1)CN=C(c1ccccc1F)c1cc(Cl)ccc1-2

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.51
DRD3 P35462 2/20 0.51
OPRK1 P41145 2/20 0.51
SLC22A1 O15245 1/20 0.51
ABCB11 O95342 1/20 0.51
PDE4D Q08499 1/20 0.51
TP53 P04637 1/20 0.48
HTR1A P08908 1/20 0.47
HTR3A P46098 1/20 0.47
KCNH2 Q12809 1/20 0.47
GHSR Q92847 1/20 0.47
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30752781 1.00 CYP3A4 (0.51) CYP3A4DRD3OPRK1SLC22A1ABCB11
SCHEMBL30752800 1.00 CYP3A4 (0.51) CYP3A4DRD3OPRK1SLC22A1ABCB11
SCHEMBL19107735 0.89 OPRK1 (0.53) CYP3A4DRD3OPRK1SLC22A1ABCB11
SCHEMBL30752756 0.89 OPRK1 (0.51) CYP3A4DRD3OPRK1SLC22A1ABCB11
SCHEMBL32673417 0.88 CYP3A4 (0.52) CYP3A4DRD3OPRK1SLC22A1ABCB11
SCHEMBL30752771 0.88 CYP3A4 (0.52) CYP3A4DRD3OPRK1SLC22A1ABCB11
SCHEMBL17375352 0.88 CYP3A4 (0.52) CYP3A4DRD3OPRK1SLC22A1ABCB11
SCHEMBL32673261 0.88 OPRK1 (0.52) CYP3A4DRD3OPRK1SLC22A1ABCB11
SCHEMBL32673213 0.87 DRD3 (0.40) CYP3A4DRD3OPRK1SLC22A1ABCB11
SCHEMBL32673421 0.82 CYP3A4 (0.45) CYP3A4DRD3OPRK1SLC22A1ABCB11

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260042763-A1 PERIPHERALLY RESTRICTED GABA POSITIVE ALLOSTERIC MODULATORS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME AND OTHER AILMENTS OF THE PERIPHERAL NERVOUS SYSTEM UNIV JOHNS HOPKINS (US) 2026-02-12 US disclosed
EP-4299126-A2 PERIPHERALLY RESTRICTED GABA POSITIVE ALLOSTERIC MODULATORS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME AND OTHER AILMENTS OF THE PERIPHERAL NERVOUS SYSTEM The Johns Hopkins University (US) 2024-01-03 EP disclosed
EP-3160969-B1 PERIPHERALLY RESTRICTED GABA POSITIVE ALLOSTERIC MODULATORS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME AND OTHER AILMENTS OF THE PERIPHERAL NERVOUS SYSTEM UNIV JOHNS HOPKINS (US) 2023-09-13 EP disclosed
US-11136322-B2 Peripherally restricted GABA positive allosteric modulators for the treatment of irritable bowel syndrome and other ailments of the peripheral nervous system THE JOHNS HOPKINS UNIVERSITY (US) 2021-10-05 US disclosed
US-20210163490-A1 PERIPHERALLY RESTRICTED GABA POSITIVE ALLOSTERIC MODULATORS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME AND OTHER AILMENTS OF THE PERIPHERAL NERVOUS SYSTEM THE JOHNS HOPKINS UNIVERSITY 2021-06-03 US disclosed
US-10844070-B2 Peripherally restricted GABA positive allosteric modulators for the treatment of irritable bowel syndrome and other ailments of the peripheral nervous system THE JOHNS HOPKINS UNIVERSITY (US) 2020-11-24 US disclosed
US-20200181155-A1 PERIPHERALLY RESTRICTED GABA POSITIVE ALLOSTERIC MODULATORS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME AND OTHER AILMENTS OF THE PERIPHERAL NERVOUS SYSTEM THE JOHNS HOPKINS UNIVERSITY 2020-06-11 US disclosed
US-20200062759-A1 PERIPHERALLY RESTRICTED GABA POSITIVE ALLOSTERIC MODULATORS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME AND OTHER AILMENTS OF THE PERIPHERAL NERVOUS SYSTEM THE JOHNS HOPKINS UNIVERSITY 2020-02-27 US disclosed
US-10266534-B2 Peripherally restricted GABA positive allosteric modulators for the treatment of irritable bowel syndrome and other ailments of the peripheral nervous system THE JOHNS HOPKINS UNIVERSITY (US) 2019-04-23 US disclosed
US-20170197967-A1 PERIPHERALLY RESTRICTED GABA POSITIVE ALLOSTERIC MODULATORS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME AND OTHER AILMENTS OF THE PERIPHERAL NERVOUS SYSTEM THE JOHNS HOPKINS UNIVERSITY 2017-07-13 US disclosed
EP-3160969-A2 PERIPHERALLY RESTRICTED GABA POSITIVE ALLOSTERIC MODULATORS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME AND OTHER AILMENTS OF THE PERIPHERAL NERVOUS SYSTEM The Johns Hopkins University (US) 2017-05-03 EP disclosed
WO-2015200766-A2 PERIPHERALLY RESTRICTED GABA POSITIVE ALLOSTERIC MODULATORS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME AND OTHER AILMENTS OF THE PERIPHERAL NERVOUS SYSTEM THE JOHNS HOPKINS UNIVERSITY (US) 2015-12-30 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10844070-B2 Peripherally restricted GABA positive allosteric modulators for the treatment of irritable bowel syndrome and other ailments of the peripheral nervous system SLC6A13, SI, SLC6A11 CYP3A4 944/4885DRD3 1168/4885OPRK1 46/4885
US-11136322-B2 Peripherally restricted GABA positive allosteric modulators for the treatment of irritable bowel syndrome and other ailments of the peripheral nervous system SLC6A13, SI, SLC6A11 CYP3A4 944/4885DRD3 1168/4885OPRK1 46/4885
US-20200181155-A1 PERIPHERALLY RESTRICTED GABA POSITIVE ALLOSTERIC MODULATORS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME AND OTHER AILMENTS OF THE PERIPHERAL NERVOUS SYSTEM SLC6A13, SI, SLC6A11 CYP3A4 944/4885DRD3 1168/4885OPRK1 46/4885
US-20200062759-A1 PERIPHERALLY RESTRICTED GABA POSITIVE ALLOSTERIC MODULATORS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME AND OTHER AILMENTS OF THE PERIPHERAL NERVOUS SYSTEM SLC6A13, SI, SLC6A11 CYP3A4 944/4885DRD3 1168/4885OPRK1 46/4885
US-20260042763-A1 PERIPHERALLY RESTRICTED GABA POSITIVE ALLOSTERIC MODULATORS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME AND OTHER AILMENTS OF THE PERIPHERAL NERVOUS SYSTEM GABRB2, GABRB3, GABRB1 CYP3A4 1171/4885DRD3 704/4885OPRK1 99/4885
US-10266534-B2 Peripherally restricted GABA positive allosteric modulators for the treatment of irritable bowel syndrome and other ailments of the peripheral nervous system SLC6A13, SI, SLC6A11 CYP3A4 944/4885DRD3 1168/4885OPRK1 46/4885
US-20210163490-A1 PERIPHERALLY RESTRICTED GABA POSITIVE ALLOSTERIC MODULATORS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME AND OTHER AILMENTS OF THE PERIPHERAL NERVOUS SYSTEM SLC6A13, SI, SLC6A11 CYP3A4 944/4885DRD3 1168/4885OPRK1 46/4885
US-20170197967-A1 PERIPHERALLY RESTRICTED GABA POSITIVE ALLOSTERIC MODULATORS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME AND OTHER AILMENTS OF THE PERIPHERAL NERVOUS SYSTEM SLC6A13, SI, SLC6A11 CYP3A4 944/4885DRD3 1168/4885OPRK1 46/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.