SCHEMBL236347

SCHEMBL236347

CC#CCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.54
CA9 Q16790 2/20 0.54
DRD3 P35462 1/20 0.49
ALDH1A1 P00352 3/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
GLS O94925 1/20 0.46
RPS6KA2 Q15349 1/20 0.43
MAPT P10636 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL29174383 0.84 CYP1B1 (0.62) ALDH1A1POLBGAASMN1; SMN2NPSR1
SCHEMBL6357561 0.82 DRD3 (0.51) CA12CA9DRD3ALDH1A1POLB
SCHEMBL4578025 0.80 ALDH1A1 (0.47) CA12CA9DRD3ALDH1A1POLB
SCHEMBL20931184 0.80 ALDH1A1 (0.47) CA12CA9DRD3ALDH1A1POLB
SCHEMBL23124181 0.79 ALDH1A1 (0.47) CA12CA9DRD3ALDH1A1POLB
SCHEMBL1862779 0.78 ALDH1A1 (0.49) CA12CA9DRD3ALDH1A1POLB
SCHEMBL10851246 0.78 ALDH1A1 (0.52) CA12CA9DRD3ALDH1A1POLB
SCHEMBL4632890 0.78 ALDH1A1 (0.49) CA12CA9DRD3ALDH1A1POLB
SCHEMBL9698514 0.78 ALDH1A1 (0.49) CA12CA9DRD3ALDH1A1POLB
SCHEMBL6898278 0.78 CHRM2 (0.53) SMN1; SMN2MAPT

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116283799-A Quinazoline methionine adenosyltransferase 2A inhibitors 南京正大天晴制药有限公司 2023-06-23 CN disclosed
US-10486148-B2 Ni(0) catalysts THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-11-26 US disclosed
US-20180264448-A1 NI(0) CATALYSTS NATIONAL SCIENCE FOUNDATION 2018-09-20 US disclosed
US-9464033-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2016-10-11 US disclosed
US-9452153-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2016-09-27 US disclosed
US-20160193181-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2016-07-07 US disclosed
US-9212187-B2 Nitrogen-containing compounds and pharmaceutical compositions thereof for the treatment of atrial fibrillation OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-15 US disclosed
US-20150329473-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2015-11-19 US disclosed
US-9115056-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2015-08-25 US disclosed
US-9056849-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2015-06-16 US disclosed
US-5440048-A Treating psychoses HOECHST-ROUSSEL PHARMACEUTICALS INC (US) 1995-08-08 US disclosed
EP-0661979-A1 CROSS-LINKING OLIGONUCLEOTIDES FOR ENZYME-MEDIATED TRIPLE STRAND FORMATION MICROPROBE CORPORATION (US) 1995-07-12 EP disclosed
WO-1994017092-A1 BIFUNCTIONAL CROSSLINKING OLIGONUCLEOTIDES ADAPTED FOR LINKING TO A DESIRED GENE SEQUENCE OF INVADING ORGANISM OR CELL MICROPROBE CORPORATION (US) 1994-08-04 WO disclosed
US-5334715-A For treating psychological disorders HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1994-08-02 US disclosed
US-5194436-A For trating psychosis HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1993-03-16 US disclosed
EP-0472648-A4 CROSSLINKING OLIGONUCLEOTIDES 1992-09-16 EP disclosed
EP-0494604-A1 1-Piperazinyl-2-butenes and 2-butynes, intermediates thereof, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-07-15 EP disclosed
US-5130315-A Treatment of psychosis Wittekind, Raymond R. (US) 1992-07-14 US disclosed
EP-0472648-A1 CROSSLINKING OLIGONUCLEOTIDES MICROPROBE CORPORATION (US) 1992-03-04 EP disclosed
WO-1990014353-A1 CROSSLINKING OLIGONUCLEOTIDES MICROPROBE CORPORATION (US) 1990-11-29 WO 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 (4 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-20160193181-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT CA12 4153/4885CA9 3040/4885DRD3 69/4885
US-20150329473-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C CA12 4660/4885CA9 2887/4885DRD3 924/4885
US-10486148-B2 Ni(0) catalysts SOD1, SCO2, CNOT9 CA12 280/4885CA9 143/4885DRD3 2474/4885
US-20180264448-A1 NI(0) CATALYSTS SOD1, SCO2, CNOT9 CA12 280/4885CA9 143/4885DRD3 2474/4885

“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.