SCHEMBL4691408

SCHEMBL4691408

CCNC1(C(N)=O)CCN(c2cncc(Cl)n2)CC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 12/20 0.59
▸ KDM4E B2RXH2 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ HTR1A P08908 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HTR2A P28223 1/20 0.45
▸ HTR2C P28335 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ CNR2 P34972 2/20 0.43

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
SCHEMBL4691863 0.89 CNR1 (0.48) CNR1KDM4EMEN1ALDH1A1CYP1A2
SCHEMBL4693596 0.80 CNR1 (0.59) CNR1CNR2
SCHEMBL14545361 0.77 CNR1 (0.91) CNR1CNR2
SCHEMBL4695350 0.76 CNR1 (0.79) CNR1CNR2
SCHEMBL7384813 0.73 KDM4E (0.48) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL14545530 0.73 CNR1 (0.83) CNR1CNR2
SCHEMBL7385367 0.73 KDM4E (0.57) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
Fumaric Acid SCHEMBL8696754 0.72 KDM4E (0.46) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
Maleic Acid SCHEMBL8696748 0.72 KDM4E (0.46) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL4691515 0.71 CNR1 (1.00) CNR1CNR2

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
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
US-20070078135-A1 Substituted heteroaryl CB1 antagonists NEUROGEN CORPORATION (US) 2007-04-05 — — US 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 1/4885KDM4E 1408/4885MEN1 3621/4885

“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.

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