SCHEMBL3845332

SCHEMBL3845332

N[C@@H]1c2ccccc2C[C@H]1Nc1nc(C2CC2)c(-c2ccc(Cl)cc2Cl)nc1C1CC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.34
CRHR1 P34998 3/20 0.32
FADS1 O60427 1/20 0.31
CNR2 P34972 1/20 0.31
DPP4 P27487 2/20 0.31
CYP3A4 P08684 1/20 0.30
HSP90AB1 P08238 1/20 0.30

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
SCHEMBL3843409 0.86 CNR1 (0.36) CNR1CRHR1FADS1CNR2DPP4
SCHEMBL3838038 0.82 CNR1 (0.39) CNR1CRHR1CNR2
SCHEMBL3838468 0.82 CRHR1 (0.36) CNR1CRHR1CNR2
SCHEMBL3840875 0.81 CNR1 (0.41) CNR1CNR2
SCHEMBL3840873 0.81 CNR1 (0.41) CNR1CNR2
SCHEMBL3842406 0.79 CRHR1 (0.35) CNR1CRHR1CNR2DPP4CYP3A4
SCHEMBL3838876 0.78 CRHR1 (0.45) CRHR1
SCHEMBL3841833 0.74 CNR1 (0.39) CNR1CRHR1CNR2CYP3A4
SCHEMBL6641175 0.74 CRHR1 (0.39) CNR1CRHR1CNR2CYP3A4
SCHEMBL3845074 0.74 CRHR1 (0.39) CNR1CRHR1CNR2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1446387-B1 SUBSTITUTED ARYL 1,4-PYRAZINE DERIVATIVES PHARMACIA & UPJOHN CO LLC (US) 2009-11-04 EP disclosed
US-20050049257-A1 Substituted aryl 1, 4-pyrazine derivatives PFIZER INC 2005-03-03 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-20050049257-A1 Substituted aryl 1, 4-pyrazine derivatives HTR2C, HTR4, HTR5A CNR1 66/4885CRHR1 27/4885FADS1 2350/4885

“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.