SCHEMBL3265276

SCHEMBL3265276

CCCCNCc1ccc(OC)c2ccc(OC)cc12

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 4/20 0.57
APLNR P35414 1/20 0.51
KDM1A O60341 1/20 0.50
MAOA P21397 1/20 0.50
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
CHRM2 P08172 1/20 0.41

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
SCHEMBL7002432 0.84 APLNR (0.73) APLNRHTR2AHTR2CHDAC3HDAC1
SCHEMBL3265286 0.83 SLC2A1 (0.81) SLC2A1GRIN1GRIN2ACHRM2
SCHEMBL17138360 0.80 APLNR (0.71) APLNRHTR2AHTR2CGRIN1GRIN2A
SCHEMBL3264888 0.79 APLNR (0.50) SLC2A1APLNRKDM1AMAOAHTR2A
SCHEMBL3266399 0.77 APLNR (0.49) SLC2A1APLNRKDM1AMAOAHTR2A
SCHEMBL18256578 0.75 APLNR (0.77) APLNRHTR2AHTR2CKDM4EALDH1A1
SCHEMBL18182124 0.75 HTR2A (0.62) APLNRHTR2AHTR2CALDH1A1HDAC3
SCHEMBL13263310 0.74 KDM1A (0.63) APLNRKDM1AMAOAKDM4EALDH1A1
SCHEMBL8852020 0.74 SLC2A1 (0.75) SLC2A1KDM1AMAOAGRIN1GRIN2A
SCHEMBL15780142 0.73 ADRA1A (0.53) APLNRKDM1AMAOAHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004262-A1 PHENYLCYCLOPROPYLAMINE DERIVATIVES AND THEIR MEDICAL USE ORYZON GENOMICS, S.A. (ES) 2012-01-05 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-20120004262-A1 PHENYLCYCLOPROPYLAMINE DERIVATIVES AND THEIR MEDICAL USE PNMT, ABCB1, SNCA SLC2A1 1019/4885APLNR 1155/4885KDM1A 1515/4885

“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.