SCHEMBL3265257

SCHEMBL3265257

Fc1ccc(CNCCCc2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.70
KDM4E B2RXH2 1/20 0.69
ALDH1A1 P00352 1/20 0.69
MPO P05164 1/20 0.65
CHRM2 P08172 2/20 0.65
BCHE P06276 2/20 0.62
LTA4H P09960 1/20 0.62
EPHX2 P34913 1/20 0.62
KCNH2 Q12809 1/20 0.60
MAOA P21397 1/20 0.60
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.57

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
Hydrochloric Acid SCHEMBL7320578 0.98 SIGMAR1 (0.68) SIGMAR1KDM4EALDH1A1MPOCHRM2
SCHEMBL8814963 0.91 LTA4H (0.78) SIGMAR1KDM4EALDH1A1MPOCHRM2
SCHEMBL11883482 0.91 SIGMAR1 (0.84) SIGMAR1MPOCHRM2BCHEMAOA
Hydrochloric Acid SCHEMBL6415080 0.90 MPO (0.58) SIGMAR1KDM4EALDH1A1MPOCHRM2
SCHEMBL27688886 0.89 KDM4E (0.84) SIGMAR1KDM4EALDH1A1MPOCHRM2
SCHEMBL10399489 0.89 KDM4E (0.84) SIGMAR1KDM4EALDH1A1MPOCHRM2
SCHEMBL4065566 0.89 SIGMAR1 (0.88) SIGMAR1MPOCHRM2BCHEMAOA
Bromide SCHEMBL11691228 0.87 SIGMAR1 (0.84) SIGMAR1MPOCHRM2BCHEMAOA
SCHEMBL9973129 0.86 SIGMAR1 (0.75) SIGMAR1KDM4EALDH1A1KCNH2
SCHEMBL14625327 0.86 SIGMAR1 (0.79) SIGMAR1CHRM2KCNH2

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 SIGMAR1 911/4885KDM4E 1015/4885ALDH1A1 1344/4885

“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.