SCHEMBL7595124

SCHEMBL7595124

Cc1cccc2c1CN(Cc1ccccc1)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.47
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
SIGMAR1 Q99720 2/20 0.46
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
DRD4 P21917 1/20 0.45
SLC6A2 P23975 1/20 0.45
HTR2C P28335 1/20 0.45
SLC6A4 P31645 1/20 0.45
OPRK1 P41145 1/20 0.45
HTR2B P41595 1/20 0.45
HTR5A P47898 1/20 0.45
SLC6A3 Q01959 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
PNMT P11086 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL13450198 0.86 HTT (0.51) MC4RLMNASIGMAR1HTR1ADRD4
SCHEMBL12681548 0.83 SIGMAR1 (0.51) LMNASIGMAR1HTR1AADRA2AADRA2B
SCHEMBL629986 0.80 SIGMAR1 (0.46) MC4RLMNASIGMAR1HTR1AADRA2A
SCHEMBL4224502 0.80 SIGMAR1 (0.46) MC4RSIGMAR1HTR1AADRA2AADRA2B
SCHEMBL16693831 0.80 SIGMAR1 (0.46) MC4RSIGMAR1HTR1AADRA2AADRA2B
SCHEMBL9537435 0.80 SIGMAR1 (0.46) MC4RSIGMAR1HTR1AADRA2AADRA2B
SCHEMBL6672942 0.80 SIGMAR1 (0.62) MC4RLMNAPOLBSIGMAR1HTR1A
SCHEMBL25110344 0.80 CYP1A2 (0.49) MC4RLMNAPOLBSIGMAR1HTR1A
SCHEMBL5449836 0.80 HTR1A (0.54) LMNASIGMAR1HTR1AADRA2AADRA2B
SCHEMBL18376160 0.79 HTR2C (0.50) HTR2CPNMTALDH1A1SMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015054317-A1 RHO KINASE INHIBITORS KADMON CORPORATION, LLC (US) 2015-04-16 WO disclosed
US-8828930-B2 Hepatitis C virus NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2014-09-09 US disclosed
US-8377874-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2013-02-19 US disclosed
US-20120121624-A1 HEPATITIS C VIRUS NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME CORP (US) 2012-05-17 US disclosed
US-20100286185-A1 HCV NS3 Protease Inhibitors MERCK SHARP & DOHME LLC 2010-11-11 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 (2 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-20120121624-A1 HEPATITIS C VIRUS NS3 PROTEASE INHIBITORS HAVCR2, GTF3C3, CTSC MC4R 4758/4885LMNA 3184/4885POLB 3036/4885
US-20100286185-A1 HCV NS3 Protease Inhibitors HAVCR2, GTF3C3, CTSC MC4R 4634/4885LMNA 3730/4885POLB 2914/4885

“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.