SCHEMBL3406022

SCHEMBL3406022

Cc1cc(-c2nc(C)c(C(=O)N3CCN(C(C)C)CC3)s2)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.48
THRA P10827 2/20 0.46
THRB P10828 2/20 0.46
HTR2C P28335 5/20 0.43
PARP1 P09874 2/20 0.42
GSK3B P49841 1/20 0.41
DYRK1A Q13627 1/20 0.41
CDK6 Q00534 1/20 0.40
DYRK2 Q92630 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
RAB9A P51151 3/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 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
SCHEMBL3398373 0.93 CNR1 (0.49) CNR1THRATHRBHTR2CPARP1
SCHEMBL3398495 0.92 CNR1 (0.48) CNR1THRATHRBHTR2CPARP1
SCHEMBL3405916 0.90 CNR1 (0.51) CNR1THRATHRBHTR2CPARP1
SCHEMBL3405774 0.90 CNR1 (0.47) CNR1THRATHRBHTR2CGSK3B
SCHEMBL3399579 0.90 CNR1 (0.47) CNR1THRATHRBHTR2CPARP1
SCHEMBL3399685 0.87 CNR1 (0.55) CNR1THRATHRBHTR2CTRPM8
SCHEMBL3402351 0.86 CNR1 (0.45) CNR1THRATHRBHTR2CGSK3B
SCHEMBL3404859 0.85 CNR1 (0.47) CNR1THRATHRBHTR2CGSK3B
SCHEMBL3404377 0.85 TRPM8 (0.57) CNR1HTR2CTRPM8SMN1; SMN2KMT2A
SCHEMBL3406010 0.84 CNR1 (0.49) CNR1THRATHRBHTR2CPARP1

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.