SCHEMBL17219702

SCHEMBL17219702

ClCCn1ccnc1-c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.64
PDE6D O43924 3/20 0.46
PLAA Q9Y263 1/20 0.46
BRD4 O60885 2/20 0.45
ALPG P10696 1/20 0.45
LIMK2 P53671 1/20 0.44
HSD17B10 Q99714 1/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2C9 P11712 1/20 0.42
HIF1A Q16665 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL7095574 0.85 ESR1 (0.68) ESR1PDE6DPLAABRD4ALPG
SCHEMBL27364900 0.85 ESR1 (0.58) ESR1PDE6DPLAABRD4ALPG
SCHEMBL1306747 0.82 ESR1 (0.69) ESR1PDE6DPLAABRD4ALPG
SCHEMBL28039002 0.82 ESR1 (0.64) ESR1PDE6DPLAABRD4ALPG
SCHEMBL20083767 0.82 ESR1 (0.64) ESR1PDE6DPLAABRD4ALPG
SCHEMBL5662079 0.82 ESR1 (0.69) ESR1PDE6DPLAABRD4ALPG
SCHEMBL9444420 0.82 ESR1 (0.64) ESR1PDE6DPLAABRD4ALPG
SCHEMBL5321444 0.81 ESR1 (0.62) ESR1PDE6DPLAABRD4ALPG
Hydrochloric Acid SCHEMBL10366282 0.81 ESR1 (0.67) ESR1PDE6DPLAABRD4ALPG
SCHEMBL27546383 0.81 ESR1 (0.62) ESR1PDE6DPLAABRD4ALPG

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
CN-107573275-A Cinnamamide derivative 日本脏器制药株式会社 2018-01-12 CN disclosed
US-9540338-B2 Substituted cinnamic acid amides for treating pain NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2017-01-10 US disclosed
US-20150322024-A1 Cinnamic Acid Amide Derivative NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2015-11-12 US disclosed
EP-2940003-A1 CINNAMIC ACID AMIDE DERIVATIVE Nippon Zoki Pharmaceutical Co., Ltd. (JP) 2015-11-04 EP disclosed
CN-104884426-A Cinnamide derivative NIPPON ZOKI PHARMACEUCTICAL CO LTD 2015-09-02 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-20150322024-A1 Cinnamic Acid Amide Derivative OPRL1, TRPV1, TRPA1 ESR1 2114/4885PDE6D 3093/4885PLAA 2805/4885

“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.