SCHEMBL3705490

SCHEMBL3705490

CC(C)(C)OC(=O)c1cnc(Cl)c(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.37
GABRG2 P18507 4/20 0.37
GABRB3 P28472 4/20 0.37
GABRA5 P31644 4/20 0.37
GABRA3 P34903 4/20 0.37
GABRA2 P47869 4/20 0.37
GABRA4 P48169 3/20 0.37
GABRA6 Q16445 3/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRB2 P47870 1/20 0.37
GABRE P78334 1/20 0.37
GABRG1 Q8N1C3 1/20 0.37
GABRG3 Q99928 1/20 0.37
GABRQ Q9UN88 1/20 0.37
STAT3 P40763 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL454098 0.84 ALDH1A1 (0.48) NTRK1NTRK2GAA
SCHEMBL5385127 0.83 CA12 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL336391 0.82 MAPK1 (0.50) GABRA5CA12CA1CA2CA9
SCHEMBL29565227 0.82 MAPK1 (0.50) GABRA5CA12CA1CA2CA9
SCHEMBL23873699 0.82 STAT3 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2132762 0.81 GABRG2 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2215365 0.81 HTT (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21702362 0.81 TDP1 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL30047650 0.81 TDP1 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL25209840 0.79 GABRG2 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3

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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4566608-A2 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION Gilead Sciences, Inc. (US) 2025-06-11 EP disclosed
US-20250179102-A1 THERAPEUTICS COMPOUNDS FOR HIV VIRUS INFECTION GILEAD SCIENCES, INC. 2025-06-05 US disclosed
EP-4445900-B1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION GILEAD SCIENCES INC (US) 2025-05-21 EP disclosed
EP-4440702-B1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION GILEAD SCIENCES INC (US) 2025-05-21 EP disclosed
US-12187753-B2 Therapeutics compounds for HIV virus infection GILEAD SCIENCES, INC. (US) 2025-01-07 US disclosed
EP-4445900-A2 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION Gilead Sciences, Inc. (US) 2024-10-16 EP disclosed
EP-4440702-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION GILEAD SCIENCES, INC. (US) 2024-10-09 EP disclosed
CN-118369325-A Therapeutic compounds for HIV virus infection 吉利德科学公司 2024-07-19 CN disclosed
US-20240132527-A1 THERAPEUTICS COMPOUNDS FOR HIV VIRUS INFECTION GILEAD SCIENCES, INC. 2024-04-25 US disclosed
US-11787825-B2 Therapeutic compounds for HIV virus infection GILEAD SCIENCES, INC. (US) 2023-10-17 US disclosed
EP-2638042-B1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-09-24 EP disclosed
US-8754096-B2 Piperidinone carboxamide azaindane CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-06-17 US disclosed
WO-2013169563-A1 PYRIDINE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2013-11-14 WO disclosed
EP-2654423-A1 FUSED HETEROCYCLIC AZAINDANE CARBOXAMIDE CGRP RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2013-10-30 EP disclosed
US-20130267541-A1 FUSED HETEROCYCLIC AZAINDANE CARBOXAMIDE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2013-10-10 US disclosed
US-8481556-B2 Piperidinone carboxamide azaindane CGRP receptor antagonists Merck, Sharp & Dohms, Corp. (US) 2013-07-09 US disclosed
WO-2013066360-A1 FUSED HETEROCYCLIC AZAINDANE CARBOXAMIDE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2013-05-10 WO disclosed
US-20120122911-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-05-17 US disclosed
US-20120122899-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-05-17 US disclosed
US-20120122900-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-05-17 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 (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-20120122900-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 GABRA1 175/4885GABRG2 336/4885GABRB3 203/4885
US-20250179102-A1 THERAPEUTICS COMPOUNDS FOR HIV VIRUS INFECTION CD4, HAVCR2, MAVS GABRA1 4318/4885GABRG2 4028/4885GABRB3 4076/4885
US-20130267541-A1 FUSED HETEROCYCLIC AZAINDANE CARBOXAMIDE CGRP RECEPTOR ANTAGONISTS CALCR, CALCRL, CNR2 GABRA1 208/4885GABRG2 325/4885GABRB3 174/4885
US-20120122911-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 GABRA1 175/4885GABRG2 336/4885GABRB3 203/4885
US-11787825-B2 Therapeutic compounds for HIV virus infection HAVCR2, MAVS, CD4 GABRA1 4275/4885GABRG2 4076/4885GABRB3 3919/4885
US-12187753-B2 Therapeutics compounds for HIV virus infection CD4, HAVCR2, MAVS GABRA1 4318/4885GABRG2 4028/4885GABRB3 4076/4885
US-20120122899-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 GABRA1 175/4885GABRG2 336/4885GABRB3 203/4885
US-20240132527-A1 THERAPEUTICS COMPOUNDS FOR HIV VIRUS INFECTION CD4, HAVCR2, MAVS GABRA1 4318/4885GABRG2 4028/4885GABRB3 4076/4885

“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.