SCHEMBL2474346

SCHEMBL2474346

C=CCC(N)c1ccccc1-c1ccc(C)cc1F

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDCD1LG2 Q9BQ51 2/20 0.36
CD274 Q9NZQ7 2/20 0.36
GRM2 Q14416 2/20 0.36
ELANE P08246 1/20 0.35
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
KIF11 P52732 1/20 0.31
NFE2L2 Q16236 1/20 0.30
CRHR1 P34998 1/20 0.30
PDE9A O76083 1/20 0.30

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
SCHEMBL2477497 0.84 PDCD1LG2 (0.39) PDCD1LG2CD274
SCHEMBL2476189 0.84 PDCD1LG2 (0.39) PDCD1LG2CD274GRM2
SCHEMBL2474135 0.79 PDCD1LG2 (0.40) PDCD1LG2CD274
SCHEMBL7438146 0.79 PDCD1LG2 (0.40) PDCD1LG2CD274
SCHEMBL2473732 0.78 PDCD1LG2 (0.36) PDCD1LG2CD274
SCHEMBL2476054 0.77 FEN1 (0.40) ALOX5APFEN1
SCHEMBL2474504 0.77 ALOX5AP (0.38) PDCD1LG2CD274ALOX5APFEN1
SCHEMBL19332982 0.74 CYP2C19 (0.38) PDCD1LG2CD274
SCHEMBL2477950 0.73 PDCD1LG2 (0.41) PDCD1LG2CD274
SCHEMBL2471466 0.73 PTGS2 (0.38) PDCD1LG2CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2159216-B1 3-BUTENYL-1-AMINE DERIVATIVES AND THEIR USE AS Ih MODULORS FOR THE TREATMENT OF PSYCHIATIRC DISORDERS ORGANON NV (NL) 2011-10-12 EP disclosed
EP-2159216-A1 Ih - Modulators N.V. Organon (NL) 2010-03-03 EP disclosed
US-20040229910-A1 Therapeutic compounds N.V. ORGANON (NL) 2004-11-18 US disclosed
US-20020037885-A1 Therapeutic compounds DIJCKS FREDERICUS ANTONIUS (NL) 2002-03-28 US disclosed
US-6313139-B1 ADMINISTERING BENZYLAMINE DERIVATIVE FOR THERAPY OF PSYCHIATRIC DISORDER IN MAMMALS AKZO NOBEL N. V. (NL) 2001-11-06 US disclosed
EP-1035843-A2 I h?-MODULATORS Akzo Nobel N.V. (NL) 2000-09-20 EP disclosed
US-6080773-A USEFUL FOR TREATMENT OF DEPRESSION, ANXIETY OR PSYCHOSIS AKZO NOBEL, N.V. (NL) 2000-06-27 US disclosed
WO-1999018941-A2 Ih-MODULATORS AKZO NOBEL N.V. (NL) 1999-04-22 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-20040229910-A1 Therapeutic compounds BDNF, PNMT, SLC18A2 PDCD1LG2 3624/4885CD274 2894/4885GRM2 72/4885
US-20020037885-A1 Therapeutic compounds BDNF, PNMT, SLC18A2 PDCD1LG2 3624/4885CD274 2894/4885GRM2 72/4885

“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.