SCHEMBL15530820

SCHEMBL15530820

Nc1ccc(C2(O)CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 5/20 0.79
POLB P06746 1/20 0.77
CCR3 P51677 2/20 0.76
DRD4 P21917 1/20 0.56
SIGMAR1 Q99720 2/20 0.55
KDM4E B2RXH2 1/20 0.54
KMT2A Q03164 1/20 0.54
CYP3A4 P08684 1/20 0.51
HSD17B10 Q99714 1/20 0.51
LTA4H P09960 1/20 0.50
OPRM1 P35372 1/20 0.49

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
SCHEMBL3160829 0.94 OPRL1 (0.79) OPRL1POLBCCR3DRD4SIGMAR1
SCHEMBL1411499 0.89 OPRL1 (1.00) OPRL1POLBCCR3DRD4SIGMAR1
SCHEMBL27679284 0.87 OPRL1 (0.77) OPRL1POLBCCR3DRD4SIGMAR1
SCHEMBL3890625 0.86 OPRL1 (0.82) OPRL1POLBCCR3DRD4SIGMAR1
SCHEMBL653218 0.86 CCR3 (1.00) OPRL1POLBCCR3DRD4SIGMAR1
SCHEMBL13573604 0.85 OPRL1 (0.66) OPRL1POLBCCR3DRD4SIGMAR1
SCHEMBL2591097 0.85 OPRL1 (0.79) OPRL1POLBCCR3DRD4SIGMAR1
SCHEMBL6110923 0.85 OPRL1 (0.79) OPRL1POLBCCR3DRD4SIGMAR1
SCHEMBL3898508 0.85 OPRL1 (0.79) OPRL1POLBCCR3DRD4SIGMAR1
Bromide SCHEMBL28537686 0.84 CCR3 (0.94) OPRL1POLBCCR3DRD4SIGMAR1

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-2847181-A1 PYRIDAZINE AND PYRIDINE DERIVATIVES AS NAMPT INHIBITORS AbbVie Inc. (US) 2015-03-18 EP disclosed
WO-2013170115-A1 PYRIDAZINE AND PYRIDINE DERIVATIVES AS NAMPT INHIBITORS ABBVIE INC. (US) 2013-11-14 WO disclosed
US-20080268071-A1 SUBSTITUTED CYCLOHEXANONES AUSPEX PHARMACEUTICALS, INC. (US) 2008-10-30 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-20080268071-A1 SUBSTITUTED CYCLOHEXANONES GRIN2B, GRIN3A, GRIN1 OPRL1 27/4885POLB 3565/4885CCR3 1629/4885

“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.