SCHEMBL2476759

SCHEMBL2476759

C=CCC(N)c1ccccc1-c1cncc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 1/20 0.42
KCNA5 P22460 1/20 0.41
KCNH2 Q12809 1/20 0.41
PDCD1LG2 Q9BQ51 2/20 0.39
CD274 Q9NZQ7 2/20 0.39
CYP11B2 P19099 8/20 0.36
CYP17A1 P05093 7/20 0.36
CYP11B1 P15538 7/20 0.36
CYP3A4 P08684 2/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2B6 P20813 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34
EGFR P00533 1/20 0.33
ERN1 O75460 1/20 0.33

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 SCHEMBL2476183 0.83 ALOX5 (0.42) PDCD1LG2CD274CYP1A2CYP2C9CYP2C19
SCHEMBL23456217 0.75 ALDH1A1 (0.46) PDCD1LG2CD274CYP3A4CYP1A2CYP2C9
SCHEMBL10094337 0.73 PRKCZ (0.47) PRKCZKCNA5KCNH2CYP11B2CYP17A1
SCHEMBL2473298 0.72 PDCD1LG2 (0.44) PDCD1LG2CD274CYP3A4CYP1A2CYP2D6
SCHEMBL2477497 0.72 PDCD1LG2 (0.39) PDCD1LG2CD274CYP2C19
SCHEMBL20873066 0.72 PRKCZ (0.64) PRKCZKCNA5KCNH2CYP11B2CYP17A1
SCHEMBL2474097 0.71 MAPT (0.40) PDCD1LG2CD274ERN1
SCHEMBL2478734 0.71 PDGFRB (0.41) PDCD1LG2CD274CYP1A2EGFR
SCHEMBL2480866 0.70 HDAC4 (0.42) PDCD1LG2CD274CYP1A2
SCHEMBL1588343 0.70 ESR1 (0.41) PDCD1LG2CD274CYP3A4

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
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-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
US-6080773-A USEFUL FOR TREATMENT OF DEPRESSION, ANXIETY OR PSYCHOSIS AKZO NOBEL, N.V. (NL) 2000-06-27 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-20020037885-A1 Therapeutic compounds BDNF, PNMT, SLC18A2 PRKCZ 3155/4885KCNA5 890/4885KCNH2 1706/4885

“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.