SCHEMBL7734299

SCHEMBL7734299

CC(C)C1(c2ccc(F)cc2)CCC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 16/20 0.42
SLC6A4 P31645 15/20 0.42
SLC6A2 P23975 5/20 0.41
CYP3A4 P08684 2/20 0.40
ALOX15 P16050 2/20 0.40
TSHR P16473 2/20 0.40
TP53 P04637 1/20 0.40
CHRM2 P08172 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
HTR2A P28223 1/20 0.39
OPRK1 P41145 1/20 0.39
HTR2B P41595 1/20 0.39
KCNH2 Q12809 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL13332854 0.96 SLC6A3 (0.46) SLC6A3SLC6A4SLC6A2
SCHEMBL10157188 0.91 SLC6A3 (0.39) SLC6A3SLC6A4SLC6A2CYP3A4ALDH1A1
SCHEMBL9604744 0.81 SLC6A3 (0.35) SLC6A3SLC6A4SLC6A2
SCHEMBL13755345 0.79 SLC6A4 (0.65) SLC6A3SLC6A4SLC6A2CYP3A4ALOX15
SCHEMBL21239901 0.78 SLC6A4 (0.50) SLC6A3SLC6A4SLC6A2CYP3A4ALOX15
SCHEMBL871577 0.77 CYP3A4 (0.70) SLC6A3SLC6A4SLC6A2CYP3A4ALOX15
SCHEMBL25062138 0.75 SLC6A3 (0.38) SLC6A3SLC6A4SLC6A2CYP3A4ALOX15
SCHEMBL13332852 0.75 SLC6A4 (0.70) SLC6A3SLC6A4SLC6A2CYP3A4ALOX15
SCHEMBL13932847 0.75 MAOB (0.41) SLC6A3SLC6A2CYP3A4ALDH1A1MAPK1
SCHEMBL2615207 0.75 SLC6A3 (0.74) SLC6A3SLC6A4SLC6A2CYP3A4ALOX15

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
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-20160199355-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MAYERS SQUIBB COMPANY (US) 2016-07-14 US disclosed
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-06-09 US disclosed
US-9326973-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-03 US disclosed
US-20150297568-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-10-22 US disclosed
US-20150023913-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2015-01-22 US disclosed
US-8759337-B2 Gamma secretase modulators MERCK SHARP & DOHME CORP. (US) 2014-06-24 US disclosed
US-20130183269-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-18 US disclosed
US-20120245158-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2012-09-27 US disclosed
US-20120232108-A1 GAMMA SECRETASE MODULATORS Merck, Sharp & Dohme, Corp. 2012-09-13 US disclosed
US-20120135980-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2012-05-31 US disclosed
US-20110294784-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2011-12-01 US disclosed
US-20100298372-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2010-11-25 US disclosed
US-20100137320-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2010-06-03 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 (11 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-20100137320-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, GSAP SLC6A3 4321/4885SLC6A4 4298/4885SLC6A2 4201/4885
US-20120232108-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 SLC6A3 4483/4885SLC6A4 4475/4885SLC6A2 4451/4885
US-20110294784-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, GSAP SLC6A3 4148/4885SLC6A4 4205/4885SLC6A2 3854/4885
US-20120245158-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 SLC6A3 4483/4885SLC6A4 4475/4885SLC6A2 4451/4885
US-20130183269-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 SLC6A3 3379/4885SLC6A4 3790/4885SLC6A2 3944/4885
US-20120135980-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, GSAP SLC6A3 4148/4885SLC6A4 4205/4885SLC6A2 3854/4885
US-20100298372-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 SLC6A3 4521/4885SLC6A4 4547/4885SLC6A2 4438/4885
US-20160199355-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, MAVS, EIF2AK2 SLC6A3 3379/4885SLC6A4 3790/4885SLC6A2 3944/4885
US-20150023913-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 SLC6A3 3379/4885SLC6A4 3790/4885SLC6A2 3944/4885
US-20150297568-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 SLC6A3 3379/4885SLC6A4 3790/4885SLC6A2 3944/4885
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS SLC6A3 3730/4885SLC6A4 4154/4885SLC6A2 4341/4885

“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.