SCHEMBL3399352

SCHEMBL3399352

Cc1nc(-c2ccc(C(C)(C)C)cc2)sc1C(=O)N1CCN(C(C)C)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.53
THRA P10827 2/20 0.45
THRB P10828 2/20 0.45
HTR2C P28335 5/20 0.44
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
GAA P10253 2/20 0.43
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
POLB P06746 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
TARBP2 Q15633 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
SCHEMBL3403012 0.90 ALDH1A1 (0.56) CNR1HTR2CPPARGPPARDPPARA
SCHEMBL3405399 0.89 CNR1 (0.57) CNR1THRATHRBHTR2CGAA
SCHEMBL3399685 0.86 CNR1 (0.55) CNR1THRATHRBHTR2CGAA
SCHEMBL3405550 0.86 CNR1 (0.55) CNR1THRATHRBHTR2CGAA
SCHEMBL3401781 0.86 CNR1 (0.70) CNR1HTR2CGAANPC1ALDH1A1
SCHEMBL3405357 0.85 CNR1 (0.54) CNR1THRATHRBHTR2CPPARA
SCHEMBL3398840 0.85 CNR1 (0.54) CNR1THRATHRBHTR2CGAA
SCHEMBL3400052 0.85 CNR1 (0.54) CNR1THRATHRBHTR2CGAA
SCHEMBL3400787 0.84 CNR1 (0.53) CNR1THRATHRBHTR2CGAA
SCHEMBL3401619 0.84 CNR1 (0.53) CNR1THRATHRBHTR2CPPARA

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 35/4885THRA 38/4885THRB 60/4885

“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.