SCHEMBL16633177

SCHEMBL16633177

COc1cncnc1N1CCN(CCN(C)c2cccc(C#N)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP2D6 P10635 1/20 0.44
ALOX15 P16050 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SLC2A1 P11166 3/20 0.43
SLC2A3 P11169 3/20 0.43
KIT P10721 2/20 0.43
HTR7 P34969 3/20 0.41
SLC2A2 P11168 1/20 0.40
DRD2 P14416 4/20 0.40
AURKA O14965 2/20 0.39
ADORA2A P29274 1/20 0.39
ABCC1 P33527 1/20 0.39
DRD3 P35462 1/20 0.39
PDGFRB P09619 1/20 0.38
HTR1A P08908 1/20 0.38

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
SCHEMBL15326101 0.95 HTR7 (0.43) MEN1CYP1A2CYP3A4KMT2ACYP2D6
SCHEMBL15326102 0.84 HTR7 (0.41) MEN1CYP1A2CYP3A4KMT2ASLC2A1
SCHEMBL15326093 0.81 DRD2 (0.52) HTR7DRD2DRD3HTR1AHTR2A
SCHEMBL16633179 0.79 MEN1 (0.45) MEN1CYP1A2CYP3A4KMT2ACYP2D6
SCHEMBL27940453 0.77 DRD2 (0.56) HTR7DRD2DRD3HTR1AALDH1A1
SCHEMBL6995702 0.76 HTR7 (0.44) MEN1CYP1A2CYP3A4KMT2ACYP2D6
Hydrochloric Acid SCHEMBL7943961 0.75 HTR7 (0.43) MEN1CYP1A2CYP3A4KMT2ACYP2D6
SCHEMBL15326104 0.75 DRD2 (0.54) HTR7DRD2DRD3HTR1AHTR2A
SCHEMBL6999464 0.75 HTR7 (0.41) MEN1CYP1A2CYP3A4KMT2ACYP2D6
Hydrochloric Acid SCHEMBL6990810 0.74 SLC2A1 (0.41) MEN1CYP1A2CYP3A4KMT2ACYP2D6

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 6 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 claimed
US-20150105399-A1 3-CYANOANILINOALKYLARYLPIPERAZINE DERIVATIVE AND USE THEREOF IN PREPARING DRUGS SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2015-04-16 US claimed
CN-103360342-A 3-Cyanoaniline alkyl aryl piperazine derivative and application in preparing medicaments JIANGSU NHWA PHARMACEUTICAL CO LTD 2013-10-23 CN claimed
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
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 MEN1 4735/4885CYP1A2 187/4885CYP3A4 258/4885

“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.