SCHEMBL3397009

SCHEMBL3397009

COc1ccc(C(C)C)cc1-c1nc(C)c(C(=O)N2CCN(C(C)C)CC2)s1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.45
CNR1 P21554 1/20 0.41
CFTR P13569 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CTSA P10619 3/20 0.39
PARP1 P09874 1/20 0.39
CES2 O00748 1/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL3402439 0.90 HTR2C (0.46) HTR2CCNR1CFTRHRH3SLC6A2
SCHEMBL3399364 0.88 HTR2C (0.45) HTR2CCNR1CFTRHRH3SLC6A2
SCHEMBL3401691 0.88 HTR2C (0.45) HTR2CCNR1CFTRHRH3SLC6A2
SCHEMBL3403991 0.86 RAB9A (0.44) HTR2CMAPTALDH1A1LMNAHPGD
SCHEMBL3402453 0.86 HTR2C (0.55) HTR2CCNR1HRH3PARP1CES2
SCHEMBL3405651 0.85 HTR2C (0.45) HTR2CCNR1CTSAPARP1
SCHEMBL3401442 0.84 HTR2C (0.46) HTR2CCNR1CFTRHRH3SLC6A2
SCHEMBL3404060 0.83 HTR2C (0.46) HTR2CHRH3CES2LMNA
SCHEMBL13072186 0.83 HTR2C (0.46) HTR2CHRH3CES2LMNA
SCHEMBL3404564 0.83 CFTR (0.52) HTR2CCNR1CFTRMAPTKDM4E

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
US-20100297035-A1 Thiazole Amides, Imidazole Amides and Related Analogues LIGAND PHARMACEUTICALS, INC. (US) 2010-11-25 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
WO-2006089076-A9 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORP (US) 2007-04-26 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 (1 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-20100297035-A1 Thiazole Amides, Imidazole Amides and Related Analogues HRH3, HRH4, HRH2 HTR2C 416/4885CNR1 35/4885CFTR 3942/4885

“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.