SCHEMBL633370

SCHEMBL633370

CCC(=O)c1ccc(C)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
AGTR1 P30556 3/20 0.50
HPGD P15428 1/20 0.49
CHRNA1 P02708 1/20 0.47
CHRNG P07510 1/20 0.47
CHRNB1 P11230 1/20 0.47
CHRNB2 P17787 1/20 0.47
SLC6A2 P23975 1/20 0.47
CHRNB4 P30926 1/20 0.47
SLC6A4 P31645 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
SLC6A3 Q01959 1/20 0.47
CHRND Q07001 1/20 0.47
MAPT P10636 6/20 0.47
GAA P10253 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
ATM Q13315 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL2071460 0.85 ALDH1A1 (0.50) ALDH1A1AGTR1HPGDCHRNA1CHRNG
SCHEMBL22641091 0.85 GSK3B (0.53) ALDH1A1AGTR1HPGDCHRNA1CHRNG
SCHEMBL2278168 0.85 CYP3A4 (0.52) ALDH1A1HPGDMAPTSMN1; SMN2ATM
SCHEMBL2127069 0.84 TSHR (0.57) HPGDSLC6A4SLC6A3CYP3A4
SCHEMBL23112482 0.83 GSK3B (0.55) ALDH1A1AGTR1HPGDCHRNA1CHRNG
SCHEMBL7701905 0.82 ALDH1A1 (0.53) ALDH1A1HPGDMAPTGAASMN1; SMN2
SCHEMBL10740496 0.81 HSP90AB1 (0.62) ALDH1A1HPGDMAPTSMN1; SMN2ATM
SCHEMBL11810201 0.80 HPGD (0.56) ALDH1A1AGTR1HPGDCHRNA1CHRNG
SCHEMBL10598079 0.80 KMT2A (0.58) ALDH1A1AGTR1HPGDMAPTGAA
SCHEMBL25527620 0.80 SLC6A4 (0.51) ALDH1A1AGTR1HPGDCHRNA1CHRNG

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
US-10919841-B2 Monoamine reuptake inhibitors RESEARCH TRIANGLE INSTITUTE (US) 2021-02-16 US disclosed
US-20180215701-A1 MONOAMINE REUPTAKE INHIBITORS RES TRIANGLE INST (US) 2018-08-02 US disclosed
US-9562001-B2 Monoamine reuptake inhibitors RESEARCH TRIANGLE INSTITUTE (US) 2017-02-07 US disclosed
US-20120071560-A1 MONOAMINE REUPTAKE INHIBITORS RESEARCH TRIANGLE INSTITUTE 2012-03-22 US disclosed
EP-2419400-A1 MONOAMINE REUPTAKE INHIBITORS RESEARCH TRIANGLE INSTITUTE (US) 2012-02-22 EP disclosed
WO-2010121022-A1 MONOAMINE REUPTAKE INHIBITORS RESEARCH TRIANGLE INSTITUTE (US) 2010-10-21 WO disclosed
US-7754773-B2 Composition and synthesis of new reagents for inhibition of HIV replication UNIVERSITY OF MASSACHUSETTS (US) 2010-07-13 US disclosed
US-20070099919-A1 Composition and synthesis of new reagents for inhibition of HIV replication NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-05-03 US disclosed
EP-0641760-B1 PHENYLALKANOIC ACID DERIVATIVE, PRODUCTION THEREOF, AND SEPARATION OF OPTICAL ISOMERS THEREOF HISAMITSU PHARMACEUTICAL CO (JP) 1996-11-06 EP disclosed
US-5434292-A Phenylalkanoic acid derivatives, process for producing the same and process for separating optical isomers thereof HISAMITSU PHARMACEUTICAL CO., INC. (JP) 1995-07-18 US disclosed
EP-0641760-A1 PHENYLALKANOIC ACID DERIVATIVE, PRODUCTION THEREOF, AND SEPARATION OF OPTICAL ISOMERS THEREOF Hisamitsu Pharmaceutical Co., Inc. (JP) 1995-03-08 EP 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 (4 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-20120071560-A1 MONOAMINE REUPTAKE INHIBITORS SLC6A2, SLC6A4, SLC6A3 ALDH1A1 521/4885AGTR1 359/4885HPGD 2548/4885
US-10919841-B2 Monoamine reuptake inhibitors SLC6A2, SLC6A4, SLC6A3 ALDH1A1 521/4885AGTR1 359/4885HPGD 2548/4885
US-20180215701-A1 MONOAMINE REUPTAKE INHIBITORS SLC6A2, SLC6A4, SLC6A3 ALDH1A1 521/4885AGTR1 359/4885HPGD 2548/4885
US-20070099919-A1 Composition and synthesis of new reagents for inhibition of HIV replication REV1, MAVS, ISG15 ALDH1A1 4359/4885AGTR1 4598/4885HPGD 3668/4885

“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.