SCHEMBL16633106

SCHEMBL16633106

CCN(CCCc1cc(C)ccc1S(=O)(=O)O)c1cccc(C#N)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 5/20 0.45
ALDH1A1 P00352 5/20 0.38
MAPT P10636 5/20 0.38
HTT P42858 3/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
KCNN4 O15554 1/20 0.36
KCNA5 P22460 1/20 0.36
LMNA P02545 3/20 0.36
ALOX15 P16050 1/20 0.36
TBXA2R P21731 2/20 0.35
TP53 P04637 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 2/20 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
SCHEMBL16634085 0.87 KCNN4 (0.35) GFERKCNN4KCNA5TBXA2REPAS1
SCHEMBL16633649 0.85 KCNN4 (0.37) GFERKCNN4KCNA5TBXA2REPAS1
SCHEMBL16634084 0.75 SCN8A (0.50) KDM4ETBXA2R
SCHEMBL16633108 0.75 SCN8A (0.40) GAATBXA2RTDP1MEN1KMT2A
SCHEMBL16633053 0.74 GFER (0.46) GFERALDH1A1MAPTHPGDKDM4E
SCHEMBL15326043 0.74 GFER (0.41) GFERALDH1A1MAPTHTTHPGD
SCHEMBL16633107 0.73 TBXA2R (0.38) TBXA2R
SCHEMBL10658410 0.73 RECQL (0.43) GFERALDH1A1MAPTHTTHPGD
SCHEMBL644417 0.73 CA12 (0.40) HTTGAACYP1A2CYP2D6CYP2C19
SCHEMBL2964170 0.73 TBXA2R (0.40) ALDH1A1HTTLMNATBXA2RSMN1; SMN2

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 2 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
US-20150105399-A1 3-CYANOANILINOALKYLARYLPIPERAZINE DERIVATIVE AND USE THEREOF IN PREPARING DRUGS SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2015-04-16 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-20150105399-A1 3-CYANOANILINOALKYLARYLPIPERAZINE DERIVATIVE AND USE THEREOF IN PREPARING DRUGS HTR5A, HTR3C, HTR3A GFER 4073/4885ALDH1A1 670/4885MAPT 4330/4885

“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.