SCHEMBL10091037

SCHEMBL10091037

CC1CCn2c(-c3ccc(F)c(F)c3)nc(C(=O)NC(C)(C)C)c2CN1C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 2/20 0.40
WNT1 P04628 1/20 0.37
DYRK1A Q13627 1/20 0.37
CNR2 P34972 4/20 0.36
CNR1 P21554 1/20 0.35
CHRM3 P20309 3/20 0.34
LMNA P02545 2/20 0.34
GRM5 P41594 1/20 0.34
KCNA5 P22460 1/20 0.34
MCHR1 Q99705 1/20 0.34
TP53 P04637 3/20 0.34
THRB P10828 1/20 0.34
ACKR3 P25106 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL10091092 0.91 CSNK1E (0.38) CSNK1EWNT1DYRK1ACNR2CNR1
SCHEMBL10091031 0.89 CNR2 (0.48) CSNK1EWNT1DYRK1ACNR2CNR1
SCHEMBL10091022 0.85 CNR2 (0.40) WNT1DYRK1ACNR2CHRM3LMNA
SCHEMBL342662 0.84 CNR2 (0.57) CNR2CNR1
SCHEMBL342663 0.84 CNR2 (0.57) CNR2CNR1
SCHEMBL10091015 0.84 CNR2 (0.57) CNR2CNR1
SCHEMBL10091027 0.83 CNR2 (0.50) WNT1DYRK1ACNR2CNR1CHRM3
SCHEMBL10091025 0.83 CNR2 (0.44) CSNK1EWNT1DYRK1ACNR2CNR1
SCHEMBL10091026 0.82 CNR2 (0.49) CSNK1EWNT1DYRK1ACNR2CNR1
SCHEMBL10091030 0.82 CNR2 (0.47) WNT1DYRK1ACNR2CNR1LMNA

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-8835422-B2 Substituted imidazoheterocycle derivatives CARA THERAPEUTICS, INC. (US) 2014-09-16 US disclosed
US-8835422-B2 Substituted imidazoheterocycle derivatives CARA THERAPEUTICS, INC. (US) 2014-09-16 US disclosed
US-20120015930-A1 SUBSTITUTED IMIDAZOHETEROCYCLE DERIVATIVES CARA THERAPEUTICS, INC. (US) 2012-01-19 US disclosed
US-20120015930-A1 SUBSTITUTED IMIDAZOHETEROCYCLE DERIVATIVES CARA THERAPEUTICS, INC. (US) 2012-01-19 US disclosed
WO-2010068520-A2 SUBSTITUTED IMIDAZOHETEROCYCLE DERIVATIVES CARA THERAPEUTICS, INC. (US) 2010-06-17 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-20120015930-A1 SUBSTITUTED IMIDAZOHETEROCYCLE DERIVATIVES CNR1, CNR2, HRH1 CSNK1E 184/4885WNT1 550/4885DYRK1A 787/4885

“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.