SCHEMBL14545679

SCHEMBL14545679

NC1CCN(c2cnc(-c3ccc(F)cc3)c(-c3ccncc3Cl)n2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.57
CNR2 P34972 2/20 0.57
CKS1B P61024 2/20 0.55
SKP1 P63208 2/20 0.55
SKP2 Q13309 2/20 0.55
PTPN11 Q06124 5/20 0.47
PIM1 P11309 2/20 0.38
PIM3 Q86V86 2/20 0.38
PIM2 Q9P1W9 2/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HTR3E A5X5Y0 1/20 0.38
MEN1 O00255 1/20 0.38
HTR3B O95264 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
HTR3A P46098 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
SCHEMBL14545642 0.94 CNR1 (0.59) CNR1CNR2CKS1BSKP1SKP2
SCHEMBL14545673 0.89 CNR1 (0.73) CNR1CNR2CKS1BSKP1SKP2
SCHEMBL14544967 0.87 CNR1 (0.58) CNR1CNR2CKS1BSKP1SKP2
SCHEMBL14545464 0.87 CNR1 (0.47) CNR1CNR2CKS1BSKP1SKP2
SCHEMBL14545718 0.85 CNR1 (0.63) CNR1CNR2CKS1BSKP1SKP2
SCHEMBL14545057 0.85 CNR1 (0.60) CNR1CNR2CKS1BSKP1SKP2
SCHEMBL14545098 0.85 CNR1 (0.58) CNR1CNR2CKS1BSKP1SKP2
SCHEMBL14545038 0.84 CNR1 (0.53) CNR1CNR2CKS1BSKP1SKP2
SCHEMBL14544985 0.84 CNR1 (0.58) CNR1CNR2CKS1BSKP1SKP2
SCHEMBL14545048 0.84 CNR1 (0.58) 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.