SCHEMBL4690127

SCHEMBL4690127

CC(C)(C)C1CN(c2cnc(-c3ccc(Cl)cc3)c(-c3ccncc3Cl)n2)CCN1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.52
CNR2 P34972 2/20 0.50
CKS1B P61024 10/20 0.42
SKP1 P63208 10/20 0.42
SKP2 Q13309 10/20 0.42
SLC6A7 Q99884 1/20 0.40

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
SCHEMBL4811669 0.88 CNR1 (0.42) CNR1CNR2CKS1BSKP1SKP2
SCHEMBL5520499 0.83 CNR1 (0.57) CNR1CNR2CKS1BSKP1SKP2
SCHEMBL5530909 0.82 CNR1 (0.53) CNR1CKS1BSKP1SKP2
SCHEMBL4695724 0.80 KMT2A (0.41) CKS1BSKP1SKP2SLC6A7
SCHEMBL5516374 0.78 CKS1B (0.63) CNR1CNR2CKS1BSKP1SKP2
SCHEMBL14545542 0.78 CNR1 (0.55) CNR1CNR2CKS1BSKP1SKP2
SCHEMBL5527891 0.78 SLC6A7 (0.41) SLC6A7
SCHEMBL5515525 0.77 CNR1 (0.61) CNR1CNR2CKS1BSKP1SKP2
SCHEMBL14544995 0.76 CNR1 (0.52) CNR1CNR2
SCHEMBL14544990 0.75 CNR1 (0.59) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871762-A2 SUBTITUTED HETEROARYL CB1 ANTAGONISTS NEUROGEN CORPORATION (US) 2008-01-02 EP disclosed
US-20070078135-A1 Substituted heteroaryl CB1 antagonists NEUROGEN CORPORATION (US) 2007-04-05 US disclosed
WO-2006113704-A2 SUBTITUTED HETEROARYL CB1 ANTAGONISTS NEUROGEN CORPORATION (US) 2006-10-26 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-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.