SCHEMBL16633053

SCHEMBL16633053

CCN(CCCO)c1cccc(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.46
KCNN4 O15554 1/20 0.44
KCNA5 P22460 1/20 0.44
ALDH1A1 P00352 4/20 0.42
CYP3A4 P08684 2/20 0.42
S1PR1 P21453 3/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
THRB P10828 1/20 0.38
USP2 O75604 2/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
PGR P06401 1/20 0.36
LRRK2 Q5S007 1/20 0.36
ENPP2 Q13822 1/20 0.36
HTR7 P34969 1/20 0.36
LMNA P02545 1/20 0.35
PER2 O15055 1/20 0.35

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
SCHEMBL8650222 0.84 ALDH1A1 (0.53) GFERKCNN4KCNA5ALDH1A1CYP3A4
SCHEMBL27921817 0.82 KCNN4 (0.46) GFERKCNN4KCNA5ALDH1A1CYP3A4
SCHEMBL16633470 0.82 KCNN4 (0.43) KCNN4KCNA5S1PR1ENPP2HTR7
SCHEMBL29002366 0.81 KCNN4 (0.43) GFERKCNN4KCNA5ALDH1A1S1PR1
SCHEMBL29871439 0.81 KCNN4 (0.43) GFERKCNN4KCNA5ALDH1A1S1PR1
SCHEMBL9446180 0.78 ALDH1A1 (0.52) GFERALDH1A1CYP3A4MEN1KMT2A
SCHEMBL3830265 0.77 KCNN4 (0.47) GFERKCNN4KCNA5ALDH1A1CYP3A4
SCHEMBL4333663 0.76 TSHR (0.52) ALDH1A1CYP3A4MEN1KMT2AUSP2
SCHEMBL2384890 0.75 KCNN4 (0.45) KCNN4KCNA5S1PR1ENPP2PER2
SCHEMBL16633106 0.74 GFER (0.45) GFERKCNN4KCNA5ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9238632-B2 3-cyanoanilinoalkylarylpiperazine derivative and use thereof in preparing drugs NHWA Pharma, Corporation (CN) 2016-01-19 US disclosed
CN-103360342-B 3-cyano-aniline alkylaryl bridged piperazine derivatives and preparing the application in medicine JIANGSU NHWA PHARMACEUTICAL CO., LTD. (CN) 2015-12-16 CN disclosed
US-20150105399-A1 3-CYANOANILINOALKYLARYLPIPERAZINE DERIVATIVE AND USE THEREOF IN PREPARING DRUGS SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2015-04-16 US disclosed
CN-103360342-A 3-Cyanoaniline alkyl aryl piperazine derivative and application in preparing medicaments JIANGSU NHWA PHARMACEUTICAL CO LTD 2013-10-23 CN 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-20150105399-A1 3-CYANOANILINOALKYLARYLPIPERAZINE DERIVATIVE AND USE THEREOF IN PREPARING DRUGS HTR5A, HTR3C, HTR3A GFER 4073/4885KCNN4 604/4885KCNA5 134/4885

“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.