SCHEMBL17375347

SCHEMBL17375347

CCNC(CC)(C(=O)O)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
THRB P10828 1/20 0.32
KMT2A Q03164 1/20 0.32
FFAR3 O14843 1/20 0.32
TSHR P16473 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
KCNN4 O15554 1/20 0.30

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
SCHEMBL391785 0.72 FFAR3 (0.35) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL29952751 0.72 TSHR (0.41) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL3665720 0.72 PKM (0.45) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL28936457 0.72 ALDH1A1 (0.35) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL8460270 0.71 MEN1 (0.42) ALDH1A1MEN1THRBKMT2ATSHR
SCHEMBL1134031 0.70
SCHEMBL453463 0.70
SCHEMBL8536646 0.70 MEN1 (0.30) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL7970309 0.70 PKM (0.36) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL28759662 0.70 MEN1 (0.30) ALDH1A1MEN1CYP1A2THRBKMT2A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (7 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 ALDH1A1 2601/4885MEN1 4846/4885CYP1A2 2083/4885
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 ALDH1A1 2601/4885MEN1 4846/4885CYP1A2 2083/4885
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 ALDH1A1 2601/4885MEN1 4846/4885CYP1A2 2083/4885
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 ALDH1A1 2601/4885MEN1 4846/4885CYP1A2 2083/4885
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 ALDH1A1 2601/4885MEN1 4846/4885CYP1A2 2083/4885
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 ALDH1A1 2601/4885MEN1 4846/4885CYP1A2 2083/4885
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 ALDH1A1 2601/4885MEN1 4846/4885CYP1A2 2083/4885

“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.