SCHEMBL11926953

SCHEMBL11926953

Cc1ccc2c(c1)C(C)CCO2

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.51
GAA P10253 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HTR2C P28335 2/20 0.42
HTR1A P08908 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2B P41595 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
KDM4C Q9H3R0 1/20 0.40
TRPV1 Q8NER1 1/20 0.37
HCRTR2 O43614 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
MAP3K14 Q99558 2/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL23715099 0.89 ADRA2A (0.46) ADRA2AGAAALDH1A1MAPTHSD17B10
SCHEMBL13616553 0.85 ADRA2A (0.41) ADRA2AGAAALDH1A1MAPTHSD17B10
SCHEMBL21933121 0.85 ADRA2A (0.41) ADRA2AGAAALDH1A1MAPTHSD17B10
SCHEMBL13630579 0.85 ADRA2A (0.41) ADRA2AGAAALDH1A1MAPTHSD17B10
SCHEMBL7920992 0.81 HCRTR2 (0.45) ADRA2AGAAALDH1A1MAPTHSD17B10
SCHEMBL24075122 0.80 MAP3K14 (0.51) ADRA2AHTR2CHTR1ASLC6A2HTR2B
SCHEMBL25202695 0.80 ADRA2A (0.50) ADRA2AMAPTHTR2CHTR2BHCRTR2
SCHEMBL11926954 0.80 ADRA2A (0.50) ADRA2AGAAALDH1A1MAPTHSD17B10
SCHEMBL24675181 0.80 DRD3 (0.43) GAAALDH1A1MAPTHSD17B10MAP3K14
SCHEMBL24675182 0.80 DRD3 (0.43) GAAALDH1A1MAPTHSD17B10MAP3K14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023129564-A1 DEGRADERS OF GRK2 AND USES THEREOF CYGNAL THERAPEUTICS, INC. (US) 2023-07-06 WO disclosed
US-20230141809-A1 QUINOLINE DERIVATIVES ELANCO ANIMAL HEALTH GMBH (DE) 2023-05-11 US disclosed
US-20150126493-A1 BICYCLIC SULFONE COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME LLC 2015-05-07 US disclosed
US-8921360-B2 Heterobicycle-substituted azolyl benzene fungicides E. I. DU PONT DE NEMOURS AND COMPANY 2014-12-30 US disclosed
US-8921360-B2 Heterobicycle-substituted azolyl benzene fungicides E. I. DU PONT DE NEMOURS AND COMPANY 2014-12-30 US disclosed
EP-2757096-A9 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2014-11-26 EP disclosed
EP-2757096-A1 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2014-07-23 EP disclosed
EP-2220046-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES INC (US) 2014-06-18 EP disclosed
EP-2220084-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES INC (US) 2014-02-19 EP disclosed
EP-2493880-B1 HETEROBICYCLE-SUBSTITUTED AZOLYL BENZENE FUNGICIDES DU PONT (US) 2013-09-18 EP disclosed
US-8461180-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2013-06-11 US disclosed
EP-2574610-A1 Inhibitors of human immonodeficiency virus replication GILEAD SCIENCES, INC. (US) 2013-04-03 EP disclosed
US-20120202815-A1 HETEROBICYCLE-SUBSTITUTED AZOLYL BENZENE FUNGICIDES E.I.DU PONT DE NEMOURS AND COMPANY (US) 2012-08-09 US disclosed
US-20120202815-A1 HETEROBICYCLE-SUBSTITUTED AZOLYL BENZENE FUNGICIDES E.I.DU PONT DE NEMOURS AND COMPANY (US) 2012-08-09 US disclosed
WO-2011059619-A1 HETEROBICYCLE-SUBSTITUTED AZOLYL BENZENE FUNGICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-05-19 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 (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-20120202815-A1 HETEROBICYCLE-SUBSTITUTED AZOLYL BENZENE FUNGICIDES CBR3, CBR1, CYP2S1 ADRA2A 3603/4885GAA 4112/4885ALDH1A1 3110/4885
US-20150126493-A1 BICYCLIC SULFONE COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORC, RORB, RORA ADRA2A 1451/4885GAA 1426/4885ALDH1A1 374/4885
US-20230141809-A1 QUINOLINE DERIVATIVES RECQL, NQO2, QTRT2 ADRA2A 628/4885GAA 804/4885ALDH1A1 1234/4885

“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.