SCHEMBL14545751

SCHEMBL14545751

OC1CN(C2CCN(c3cnc(-c4ccc(C(F)(F)F)cc4)c(-c4ccncc4Cl)n3)CC2)C1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.71
CNR2 P34972 2/20 0.66
CKS1B P61024 5/20 0.44
SKP1 P63208 5/20 0.44
SKP2 Q13309 5/20 0.44
PTPN11 Q06124 2/20 0.38
MAPT P10636 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
CDK4 P11802 1/20 0.35
CDK6 Q00534 1/20 0.35
SMO Q99835 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL14545352 0.91 CNR1 (0.75) CNR1CNR2CKS1BSKP1SKP2
SCHEMBL14545610 0.89 CNR1 (0.69) CNR1CNR2CKS1BSKP1SKP2
SCHEMBL14545438 0.86 CNR1 (0.66) CNR1CNR2CKS1BSKP1SKP2
SCHEMBL14545673 0.85 CNR1 (0.73) CNR1CNR2CKS1BSKP1SKP2
SCHEMBL14545355 0.85 CNR1 (0.72) CNR1CNR2CKS1BSKP1SKP2
SCHEMBL14545114 0.83 CNR1 (0.69) CNR1CNR2CKS1BSKP1SKP2
SCHEMBL14545093 0.82 CNR1 (0.71) CNR1CNR2CKS1BSKP1SKP2
SCHEMBL14545615 0.82 CNR1 (0.86) CNR1CNR2CKS1BSKP1SKP2
SCHEMBL14545436 0.81 CNR1 (0.72) CNR1CNR2CKS1BSKP1SKP2
SCHEMBL14545611 0.81 CNR1 (0.65) CNR1CNR2CKS1BSKP1SKP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070078135-A1 Substituted heteroaryl CB1 antagonists NEUROGEN CORPORATION (US) 2007-04-05 US 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-20070078135-A1 Substituted heteroaryl CB1 antagonists CNR1, CNR2, OPRL1 CNR1 1/4885CNR2 2/4885CKS1B 1836/4885

“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.