SCHEMBL7920992

SCHEMBL7920992

Cc1ccc2c(c1)C(C)CO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.45
HTR2C P28335 2/20 0.44
HTR1A P08908 1/20 0.44
SLC6A2 P23975 1/20 0.44
HTR2B P41595 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
CYP19A1 P11511 2/20 0.41
ADRA2A P08913 1/20 0.40
TOP2A P11388 1/20 0.39
GAA P10253 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CA2 P00918 2/20 0.38
CA1 P00915 1/20 0.38
MMP12 P39900 1/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 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
SCHEMBL28705121 0.86 HCRTR2 (0.40) HCRTR2HTR2CHTR1ASLC6A2HTR2B
SCHEMBL21933120 0.84 TOP2A (0.42) HCRTR2HTR2CCYP19A1TOP2AALDH1A1
SCHEMBL30456628 0.84 TOP2A (0.42) HCRTR2HTR2CCYP19A1TOP2AALDH1A1
SCHEMBL6327487 0.84 TOP2A (0.42) HCRTR2HTR2CCYP19A1TOP2AALDH1A1
SCHEMBL18643711 0.81 HCRTR2 (0.43) HCRTR2HTR2CHTR1ASLC6A2HTR2B
SCHEMBL11926953 0.81 ADRA2A (0.51) HCRTR2HTR2CHTR1ASLC6A2HTR2B
SCHEMBL11859656 0.78 HCRTR2 (0.44) HCRTR2HTR2CHTR1ASLC6A2HTR2B
SCHEMBL10145621 0.78 HTR2C (0.46) HCRTR2HTR2CHTR1ASLC6A2HTR2B
SCHEMBL24075137 0.78 HCRTR2 (0.50) HCRTR2HTR2CHTR1ASLC6A2HTR2B
SCHEMBL16649032 0.78 DRD3 (0.49) ALDH1A1HSD17B10CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303552-A1 ARYLSULFONYL DERIVATIVES AND THEIR USE AS MUSCARINIC ACETYLCHOLINE RECEPTOR M5 INHIBITORS VANDERBILT UNIVERSITY 2023-09-28 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
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
EP-2574610-A1 Inhibitors of human immonodeficiency virus replication GILEAD SCIENCES, INC. (US) 2013-04-03 EP disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
EP-2351743-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-08-03 EP disclosed
US-20110130384-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-02 US disclosed
US-20110130384-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-02 US disclosed
EP-2298731-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-03-23 EP disclosed
WO-2010050445-A1 BICYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2010-05-06 WO disclosed
WO-2009157196-A1 AMIDE COMPOUND 武田薬品工業株式会社 (JP) 2009-12-30 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 (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-20120010247-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB HCRTR2 3080/4885HTR2C 4620/4885HTR1A 4591/4885
US-20110130384-A1 AMIDE COMPOUND GPR52, CNR2, ARRB1 HCRTR2 58/4885HTR2C 207/4885HTR1A 255/4885
US-20230303552-A1 ARYLSULFONYL DERIVATIVES AND THEIR USE AS MUSCARINIC ACETYLCHOLINE RECEPTOR M5 INHIBITORS CHRM5, CHRM1, CHRM2 HCRTR2 377/4885HTR2C 32/4885HTR1A 29/4885

“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.