SCHEMBL2480653

SCHEMBL2480653

C=CCC(N)c1ccccc1-c1cccs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.39
PDCD1LG2 Q9BQ51 2/20 0.36
CD274 Q9NZQ7 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
KDM4E B2RXH2 6/20 0.35
ALDH1A1 P00352 4/20 0.35
MAPT P10636 4/20 0.35
KMT2A Q03164 3/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 3/20 0.35
MEN1 O00255 2/20 0.35
TSHR P16473 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL2475584 0.77 PDCD1LG2 (0.40) PDCD1LG2CD274ALDH1A1KMT2ALMNA
SCHEMBL2474950 0.75 PDPK1 (0.39) PDCD1LG2CD274SLC6A4SLC6A3NPC1
SCHEMBL2988962 0.75 CYP2C19 (0.34) PDCD1LG2CD274SLC6A2SLC6A4SLC6A3
SCHEMBL3105786 0.75 PTPRC (0.37) PDCD1LG2CD274CYP3A4TDO2CYP2C19
Hydrochloric Acid SCHEMBL2480213 0.74 PDCD1LG2 (0.39) PDCD1LG2CD274KDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL2480111 0.73 APP (0.39) PDCD1LG2CD274
SCHEMBL2473298 0.73 PDCD1LG2 (0.44) PDCD1LG2CD274CYP3A4CYP2D6ALDH1A1
SCHEMBL2477497 0.73 PDCD1LG2 (0.39) PDCD1LG2CD274KDM4EALDH1A1MAPT
SCHEMBL2474097 0.72 MAPT (0.40) PDCD1LG2CD274ALDH1A1MAPTKMT2A
SCHEMBL7438146 0.71 PDCD1LG2 (0.40) PDCD1LG2CD274SLC6A2SLC6A3KDM4E

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 LTA4H 1122/4885PDCD1LG2 3624/4885CD274 2894/4885
US-20020037885-A1 Therapeutic compounds BDNF, PNMT, SLC18A2 LTA4H 1122/4885PDCD1LG2 3624/4885CD274 2894/4885

“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.