SCHEMBL3399780

SCHEMBL3399780

CCc1cccc(-c2nc(C)c(C(=O)N3CCN(C(C)C)CC3)s2)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.54
HTR2C P28335 7/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 2/20 0.42
NPC1 O15118 1/20 0.42
KMT2A Q03164 1/20 0.42
THRA P10827 2/20 0.42
THRB P10828 2/20 0.42
ALDH1A1 P00352 3/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
CES2 O00748 1/20 0.40
CDC7 O00311 1/20 0.40
DBF4 Q9UBU7 1/20 0.40

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
SCHEMBL3398840 0.88 CNR1 (0.54) CNR1HTR2CSMN1; SMN2NPC1THRA
SCHEMBL3399805 0.87 CNR1 (0.56) CNR1HTR2CSMN1; SMN2HPGDNPC1
SCHEMBL3401781 0.87 CNR1 (0.70) CNR1HTR2CSMN1; SMN2HPGDNPC1
SCHEMBL13071671 0.86 CNR1 (0.48) CNR1HTR2CSMN1; SMN2NPC1KMT2A
SCHEMBL3404377 0.85 TRPM8 (0.57) CNR1HTR2CSMN1; SMN2KMT2AALDH1A1
SCHEMBL3399653 0.85 CNR1 (0.54) CNR1HTR2CSMN1; SMN2HPGDKMT2A
SCHEMBL3403913 0.85 CNR1 (0.49) CNR1HTR2CHPGDKMT2ATHRA
SCHEMBL3404549 0.84 CNR1 (0.53) CNR1HTR2CSMN1; SMN2NPC1KMT2A
SCHEMBL3402546 0.84 CNR1 (0.53) CNR1HTR2CSMN1; SMN2HPGDNPC1
SCHEMBL3403374 0.84 CNR1 (0.52) CNR1HTR2CSMN1; SMN2HPGDKMT2A

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 CNR1 35/4885HTR2C 416/4885SMN1; SMN2 1605/4885

“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.