SCHEMBL3266399

SCHEMBL3266399

CCCCNCc1ccc(OC)cc1F

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.49
KDM1A O60341 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
SLC2A1 P11166 2/20 0.45
CHRM2 P08172 2/20 0.44
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
KDM4E B2RXH2 1/20 0.41
PKM P14618 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 0.83 APLNR (0.73) APLNRCHRM2HTR2AHTR2C
SCHEMBL3264888 0.83 APLNR (0.50) APLNRKDM1AMAOAMAOBSLC2A1
SCHEMBL13975424 0.81 ACHE (0.52) CHRM2SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL5024499 0.80 ESR1 (0.49) KDM1AMAOAMAOB
SCHEMBL24067917 0.80 MEN1 (0.43) CHRM2SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL26028290 0.79 APLNR (0.46) APLNRKDM1AMAOAMAOBSLC2A1
SCHEMBL11224282 0.79 ESR1 (0.47) HTTMEN1KMT2A
SCHEMBL17138360 0.79 APLNR (0.71) APLNRCHRM2HTR2AHTR2C
SCHEMBL19954239 0.78 ADRB2 (0.51) APLNRCHRM2MAPK1HTTSMN1; SMN2
SCHEMBL3265276 0.77 SLC2A1 (0.57) APLNRKDM1AMAOASLC2A1CHRM2

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 APLNR 1155/4885KDM1A 1515/4885MAOA 80/4885

“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.