Sugi Predict

Sugi Predict / Compounds / SCHEMBL29833338

SCHEMBL29833338

SCHEMBL29833338

O=C(O)c1cc2n(n1)-c1ccc(Cl)cc1C(c1ccccc1)=NC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 7/20 0.55
▸ GABRA1 P14867 2/20 0.55
▸ GABRA5 P31644 2/20 0.55
▸ GABRA3 P34903 2/20 0.55
▸ GABRA2 P47869 2/20 0.55
▸ GABRB2 P47870 2/20 0.55
▸ GABRP O00591 1/20 0.55
▸ GABRD O14764 1/20 0.55
▸ CACNA1F O60840 1/20 0.55
▸ ALB P02768 1/20 0.55
▸ GABRB1 P18505 1/20 0.55
▸ GABRG2 P18507 1/20 0.55
▸ GABRB3 P28472 1/20 0.55
▸ AKR1C3 P42330 1/20 0.55
▸ GABRA4 P48169 1/20 0.55
▸ AKR1C2 P52895 1/20 0.55
▸ GABRE P78334 1/20 0.55
▸ CACNA1D Q01668 1/20 0.55
▸ AKR1C1 Q04828 1/20 0.55
▸ KCNH2 Q12809 1/20 0.55

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
SCHEMBL11525787 1.00 OPRK1 (0.55) OPRK1GABRA1GABRA5GABRA3GABRA2
Hydrochloric Acid SCHEMBL11527447 0.98 OPRK1 (0.53) OPRK1GABRA1GABRA5GABRA3GABRA2
SCHEMBL11525200 0.91 OPRK1 (0.53) OPRK1GABRA1GABRA5GABRA3GABRA2
SCHEMBL11526461 0.89 OPRK1 (0.54) OPRK1GABRA1GABRA5GABRA3GABRA2
SCHEMBL29832937 0.89 TDP1 (0.51) OPRK1GABRA1GABRA5GABRA3GABRA2
SCHEMBL11526770 0.88 OPRK1 (0.53) OPRK1GABRA1GABRA5GABRA3GABRA2
SCHEMBL29832690 0.87 TDP1 (0.44) OPRK1GABRA1GABRA5GABRA3GABRA2
SCHEMBL26918762 0.87 CYP3A4 (0.55) OPRK1KCNH2MARS1PDE4DTP53
SCHEMBL9565460 0.87 GABRA1 (0.48) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL29832153 0.85 GABRA1 (0.46) OPRK1GABRA1GABRA5GABRA3GABRA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250179076-A1 SUBSTITUTED BENZOPYRAZOLO[1,5-a][1,4]DIAZEPINES AS GABA POSITIVE ALLOSTERIC MODULATORS LIEBER INSTITUTE, INC., D/B/A THE LIEBER INSTITUTE FOR BRAIN DEVELOPMENT 2025-06-05 — — US disclosed
US-12049467-B2 Substituted benzopyrazolo[1,5-a][1,4]diazepines as GABA positive allosteric modulators THE JOHNS HOPKINS UNIVERSITY (US) 2024-07-30 — — US disclosed
US-20220251090-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 2022-08-11 — — US 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 (3 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-20250179076-A1 SUBSTITUTED BENZOPYRAZOLO[1,5-a][1,4]DIAZEPINES AS GABA POSITIVE ALLOSTERIC MODULATORS GABRB1, GABRB2, GABRA5 OPRK1 72/4885GABRA1 4/4885GABRA5 3/4885
US-12049467-B2 Substituted benzopyrazolo[1,5-a][1,4]diazepines as GABA positive allosteric modulators GABRB1, GABRB2, GABRB3 OPRK1 72/4885GABRA1 4/4885GABRA5 5/4885
US-20220251090-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 OPRK1 79/4885GABRA1 13/4885GABRA5 9/4885

“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.