SCHEMBL3105786

SCHEMBL3105786

C=CCC(N)c1ccccc1-c1ccsc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.37
CYP2A6 P11509 3/20 0.37
CYP2B6 P20813 2/20 0.37
CYP2E1 P05181 1/20 0.37
PDCD1LG2 Q9BQ51 2/20 0.36
CD274 Q9NZQ7 2/20 0.36
TDO2 P48775 1/20 0.33
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
MAOB P27338 1/20 0.32
CYP2C19 P33261 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
ADRA2A P08913 3/20 0.31
ADRA2B P18089 3/20 0.31
ADRA2C P18825 3/20 0.31
GPR84 Q9NQS5 1/20 0.31
EDNRA P25101 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
Hydrochloric Acid SCHEMBL2480213 0.80 PDCD1LG2 (0.39) CYP2A6PDCD1LG2CD274CYP2C19
SCHEMBL2474135 0.76 PDCD1LG2 (0.40) PDCD1LG2CD274CYP2C19
SCHEMBL2471466 0.76 PTGS2 (0.38) PDCD1LG2CD274MAOBCYP2C19
SCHEMBL7438146 0.76 PDCD1LG2 (0.40) PDCD1LG2CD274CYP2C19
SCHEMBL2480653 0.75 LTA4H (0.39) PDCD1LG2CD274TDO2CYP2C19CYP3A4
SCHEMBL2474097 0.74 MAPT (0.40) CYP2A6PDCD1LG2CD274MAOB
SCHEMBL28483306 0.74 CYP2A6 (0.40) PTPRCCYP2A6CYP2B6CYP2E1TDO2
SCHEMBL2480866 0.73 HDAC4 (0.42) PDCD1LG2CD274MAOB
SCHEMBL2476954 0.73 PDCD1LG2 (0.36) PDCD1LG2CD274ADRA1DADRA1AADRA1B
SCHEMBL2477497 0.72 PDCD1LG2 (0.39) PTPRCPDCD1LG2CD274TDO2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PTPRC 3933/4885CYP2A6 1821/4885CYP2B6 1023/4885
US-20020037885-A1 Therapeutic compounds BDNF, PNMT, SLC18A2 PTPRC 3933/4885CYP2A6 1821/4885CYP2B6 1023/4885

“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.