SCHEMBL16633470

SCHEMBL16633470

CN(CCCO)c1cccc(C#N)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.43
KCNA5 P22460 1/20 0.43
MTNR1A P48039 4/20 0.40
MTNR1B P49286 4/20 0.40
ENPP2 Q13822 1/20 0.38
GSK3B P49841 1/20 0.36
PER2 O15055 1/20 0.36
CRY1 Q16526 1/20 0.36
CRY2 Q49AN0 1/20 0.36
S1PR1 P21453 1/20 0.36
MAPK14 Q16539 1/20 0.35
SLC6A4 P31645 1/20 0.35
HTR7 P34969 2/20 0.35
CLK1 P49759 1/20 0.35
FFAR1 O14842 1/20 0.35
ABCB1 P08183 1/20 0.34
MCHR1 Q99705 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
SCHEMBL2384890 0.90 KCNN4 (0.45) KCNN4KCNA5MTNR1AMTNR1BENPP2
SCHEMBL14034634 0.86 KCNN4 (0.50) KCNN4KCNA5SLC6A4
SCHEMBL16633229 0.84 KCNN4 (0.43) KCNN4KCNA5MTNR1AMTNR1BENPP2
SCHEMBL14034702 0.83 KCNN4 (0.48) KCNN4KCNA5HTR7
SCHEMBL16633053 0.82 GFER (0.46) KCNN4KCNA5ENPP2GSK3BPER2
SCHEMBL27940602 0.81 KCNN4 (0.45) KCNN4KCNA5ENPP2GSK3BPER2
SCHEMBL10019235 0.81 KCNN4 (0.45) KCNN4KCNA5ENPP2GSK3BPER2
SCHEMBL14034729 0.78 KCNN4 (0.48) KCNN4KCNA5ENPP2GSK3BPER2
SCHEMBL14155119 0.78 KCNN4 (0.43) KCNN4KCNA5ENPP2PER2CRY1
SCHEMBL6476823 0.78 KCNA5 (0.46) KCNN4KCNA5MTNR1AMTNR1BGSK3B

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 KCNN4 604/4885KCNA5 134/4885MTNR1A 811/4885

“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.