SCHEMBL4133548

SCHEMBL4133548

NCCC(S)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.48
ANPEP P15144 1/20 0.47
HRH1 P35367 1/20 0.46
TAAR1 Q96RJ0 3/20 0.45
SLC6A2 P23975 2/20 0.45
CYP2A6 P11509 2/20 0.45
MAOA P21397 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LOXL2 Q9Y4K0 2/20 0.44
HTR2A P28223 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
IDO1 P14902 1/20 0.42
CYP2D6 P10635 1/20 0.42
ALPI P09923 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
SCHEMBL11188256 0.82 EPHX1 (0.52) EPHX1ANPEPTAAR1SLC6A2CYP2A6
SCHEMBL4650877 0.81 EPHX1 (0.55) EPHX1ANPEPTAAR1SLC6A2CYP2A6
Bromide SCHEMBL11187003 0.80 EPHX1 (0.50) EPHX1ANPEPTAAR1SLC6A2CYP2A6
Bromide SCHEMBL1046181 0.79 EPHX1 (0.52) EPHX1ANPEPTAAR1SLC6A2CYP2A6
SCHEMBL10963242 0.78 ACE (0.47) EPHX1TAAR1SLC6A2CYP2A6MAOA
SCHEMBL11145503 0.77 EPHX1 (0.52) EPHX1ANPEPHRH1TAAR1SLC6A2
SCHEMBL8606753 0.76 EPHX1 (0.70) EPHX1ANPEPHRH1TAAR1SLC6A2
SCHEMBL2484539 0.76 EPHX1 (0.70) EPHX1ANPEPHRH1TAAR1SLC6A2
SCHEMBL11657274 0.75 CNR2 (0.47) TAAR1SLC6A2CYP2A6MAOASLC6A4
SCHEMBL11517810 0.74 EPHX1 (0.48) EPHX1ANPEPHRH1TAAR1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192202-A1 ANDROGEN MODULATORS PFIZER INC 2009-07-30 US disclosed
US-7507860-B2 Androgen modulators PFIZER INC. (US) 2009-03-24 US disclosed
US-20070197641-A1 Androgen modulators HU LAIN-YEN 2007-08-23 US disclosed
EP-1737813-A1 ANDROGEN MODULATORS Warner-Lambert Company LLC (US) 2007-01-03 EP disclosed
WO-2005100305-A1 ANDROGEN MODULATORS WARNER-LAMBERT COMPANY LLC (US) 2005-10-27 WO 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-20070197641-A1 Androgen modulators AR, NR5A1, SHBG EPHX1 3436/4885ANPEP 592/4885HRH1 2615/4885
US-20090192202-A1 ANDROGEN MODULATORS AR, NR5A1, SHBG EPHX1 3436/4885ANPEP 592/4885HRH1 2615/4885

“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.