SCHEMBL4482137

SCHEMBL4482137

c1ccc(-c2ccc(CNCCC3CCOCC3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.48
MAOA P21397 2/20 0.48
MAOB P27338 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SIGMAR1 Q99720 1/20 0.47
MEN1 O00255 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
ALDH1A1 P00352 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 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
SCHEMBL23023116 0.91 SIGMAR1 (0.55) KDM1AMAOAMAOBSIGMAR1MEN1
SCHEMBL23023136 0.82 HTR5A (0.50) SIGMAR1MEN1KMT2A
SCHEMBL4482142 0.80 KDM1A (0.46) KDM1AMAOAMAOBSIGMAR1MEN1
SCHEMBL22495345 0.79 SIGMAR1 (0.63) MAOASIGMAR1MEN1KMT2ACHRM2
SCHEMBL26644568 0.78 CHRM2 (0.53) SMN1; SMN2MEN1RAB9AKMT2ACHRM2
SCHEMBL5208820 0.76 CHRM2 (0.55) SMN1; SMN2MEN1KMT2ACHRM2ALDH1A1
SCHEMBL23022866 0.76 SIGMAR1 (0.69) MAOASIGMAR1MEN1KMT2ACHRM2
SCHEMBL10425868 0.76 SIGMAR1 (0.73) MAOASIGMAR1MEN1RAB9AKMT2A
SCHEMBL13136967 0.76 MTOR (0.47) OPRM1OPRD1OPRK1
SCHEMBL375157 0.75 MEN1 (0.75) KDM1AMEN1RAB9AKMT2AOPRM1

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
US-7615651-B2 Diaryl, dipyridinyl and aryl-pyridinyl derivatives and uses thereof PFIZER INC. (US) 2009-11-10 US disclosed
US-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof PFIZER INC. 2008-07-10 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-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof OPRD1, OPRK1, OPRL1 KDM1A 1250/4885MAOA 364/4885MAOB 173/4885

“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.