SCHEMBL9968401

SCHEMBL9968401

COC(=O)N(C)C1CCN(c2cc(-c3nc4ccccc4n3C)c(Cl)cn2)C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.46
SMO Q99835 10/20 0.42
AAK1 Q2M2I8 1/20 0.39
CYP2C9 P11712 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
EGFR P00533 2/20 0.38
MCHR1 Q99705 1/20 0.38
INSR P06213 1/20 0.38
IGF1R P08069 1/20 0.38
KCNH2 Q12809 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
SCHEMBL9968394 0.93 PDE10A (0.41) PDE10ASMOCYP2C9
SCHEMBL9931941 0.91 OPRM1 (0.44) SMOCYP2C9HRH3MCHR1
SCHEMBL9932360 0.91 MAP4K4 (0.44) SMOCYP2C9HRH3MCHR1
SCHEMBL9931455 0.90 SMO (0.40) SMOCYP2C9HRH3MCHR1
SCHEMBL9932043 0.85 SMO (0.42) SMOCYP2C9
SCHEMBL9932767 0.84 PDE10A (0.44) PDE10ASMO
SCHEMBL9931893 0.83 MEN1 (0.41) PDE10ASMOCYP2C9
SCHEMBL9932415 0.83 PDE10A (0.42) PDE10ASMOCYP2C9
SCHEMBL9968509 0.83 SMO (0.57) PDE10ASMO
SCHEMBL9933208 0.83 CYP2C9 (0.41) PDE10ASMOCYP2C9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157471-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2012-06-21 US disclosed
US-20120157471-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2012-06-21 US disclosed
WO-2011027249-A2 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2011-03-10 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-20120157471-A1 BENZIMIDAZOLE DERIVATIVES SMO, RB1, GLI1 PDE10A 1879/4885SMO 1/4885AAK1 4405/4885

“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.