SCHEMBL867586

SCHEMBL867586

N#Cc1cccc(C(CNC(=O)O)C2(c3ccc(Cl)cc3)CCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 13/20 0.42
CNR2 P34972 8/20 0.42
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
SLC6A9 P48067 1/20 0.39
SLC6A5 Q9Y345 1/20 0.39
MCHR1 Q99705 5/20 0.39
GPR139 Q6DWJ6 1/20 0.37

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
SCHEMBL10249615 0.86 DRD2 (0.41) CNR1CNR2MCHR1
SCHEMBL621395 0.83 EP300 (0.36) CYP2D6CYP2C9
SCHEMBL868291 0.82 TP53 (0.40) CNR1CNR2
SCHEMBL623080 0.82 MCHR1 (0.35) CNR1MCHR1
SCHEMBL622677 0.79 CNR1 (0.39) CNR1CNR2
SCHEMBL620933 0.74 SLC6A9 (0.34) SLC6A9
SCHEMBL10270218 0.71 DRD2 (0.43)
SCHEMBL10252969 0.71 DRD2 (0.41)
SCHEMBL5202867 0.69 CNR1 (0.45) CNR1CNR2
SCHEMBL10249618 0.69 DRD2 (0.42) MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9238619-B2 Phenalkylamine derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2016-01-19 US disclosed
US-8877794-B2 Phenalkylamine derivatives, pharmaceutical compositions containing them, and their use in therapy ABBOTT LABORATORIES (US) 2014-11-04 US disclosed
US-20140256701-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-11 US disclosed
US-20120077796-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT LABORATORIES (US) 2012-03-29 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 (2 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-20140256701-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY KCNT1, CEPT1, PIGT CNR1 731/4885CNR2 608/4885CYP2D6 304/4885
US-20120077796-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY KCNT1, CEPT1, PIGT CNR1 731/4885CNR2 608/4885CYP2D6 304/4885

“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.