SCHEMBL4564774

SCHEMBL4564774

CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.55
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.42
ATM Q13315 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.39
DPP7 Q9UHL4 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
REN P00797 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
SCHEMBL5123440 1.00 CACNA1B (0.55) CACNA1BCYP2C19SMN1; SMN2L3MBTL1ATM
SCHEMBL5124751 1.00 CACNA1B (0.55) CACNA1BCYP2C19SMN1; SMN2L3MBTL1ATM
SCHEMBL5124105 1.00 CACNA1B (0.55) CACNA1BCYP2C19SMN1; SMN2L3MBTL1ATM
SCHEMBL5123424 1.00 CACNA1B (0.55) CACNA1BCYP2C19SMN1; SMN2L3MBTL1ATM
Bromide SCHEMBL5123866 0.99 CACNA1B (0.54) CACNA1BCYP2C19SMN1; SMN2L3MBTL1ATM
Hydrochloric Acid SCHEMBL5117572 0.99 CACNA1B (0.54) CACNA1BCYP2C19SMN1; SMN2L3MBTL1ATM
SCHEMBL5117043 0.99 CACNA1B (0.54) CACNA1BCYP2C19SMN1; SMN2L3MBTL1ATM
Hydrochloric Acid SCHEMBL5125640 0.99 CACNA1B (0.53) CACNA1BCYP2C19SMN1; SMN2L3MBTL1ATM
Fumaric Acid SCHEMBL7039957 0.97 CACNA1B (0.53) CACNA1BCYP2C19SMN1; SMN2L3MBTL1ATM
SCHEMBL14210091 0.94 CACNA1B (0.48) CACNA1BCYP2C19SMN1; SMN2L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080096924-A1 Amorphous Composition ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-24 US claimed
EP-1829549-A1 AMORPHOUS COMPOSITION ONO PHARMACEUTICAL CO., LTD. (JP) 2007-09-05 EP claimed
US-20040067891-A1 Therapeutic and/or preventive agents for diseases due to retinal ischemia ONO PHARMACEUTICAL CO., LTD. (JP) 2004-04-08 US claimed
US-20030232806-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. 2003-12-18 US claimed
EP-1356817-A1 THERAPEUTIC AND/OR PREVENTIVE AGENTS FOR DISEASES DUE TO RETINAL ISCHEMIA ONO PHARMACEUTICAL CO., LTD. (JP) 2003-10-29 EP claimed
US-6605608-B1 Such as n-(1-benzylpiperidin-4-yl)-3-cyclohexylmethylthio-2-((4R)-3-t -butoxycarbonylthiazolidin-4-ylcarbonylamino)propan-a mide; n-type calcium channel inhibitors ONO PHARMACEUTICAL CO., LTD (JP) 2003-08-12 US claimed
EP-1090912-A1 AMINO ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-04-11 EP claimed
EP-3485881-B1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS HARVARD COLLEGE (US) 2024-03-13 EP disclosed
US-20230165812-A1 NOCICEPTOR NEURONS CONTROL CANCER IMMUNOSURVEILLANCE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-06-01 US disclosed
US-20230165812-A1 NOCICEPTOR NEURONS CONTROL CANCER IMMUNOSURVEILLANCE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-06-01 US disclosed
US-20220016046-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS CHILDREN'S MEDICAL CENTER CORPORATION (US) 2022-01-20 US disclosed
US-20210290561-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS CHILDREN'S MEDICAL CENTER CORPORATION (US) 2021-09-23 US disclosed
US-20210030695-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS CHILDREN'S MEDICAL CENTER CORPORATION (US) 2021-02-04 US disclosed
EP-1356817-A1 THERAPEUTIC AND/OR PREVENTIVE AGENTS FOR DISEASES DUE TO RETINAL ISCHEMIA ONO PHARMACEUTICAL CO., LTD. (JP) 2003-10-29 EP disclosed
EP-1356817-A1 THERAPEUTIC AND/OR PREVENTIVE AGENTS FOR DISEASES DUE TO RETINAL ISCHEMIA ONO PHARMACEUTICAL CO., LTD. (JP) 2003-10-29 EP disclosed
EP-1350790-A1 PROCESS FOR PREPARING ACTIVE ESTERS ONO PHARMACEUTICAL CO., LTD. (JP) 2003-10-08 EP disclosed
US-6605608-B1 Such as n-(1-benzylpiperidin-4-yl)-3-cyclohexylmethylthio-2-((4R)-3-t -butoxycarbonylthiazolidin-4-ylcarbonylamino)propan-a mide; n-type calcium channel inhibitors ONO PHARMACEUTICAL CO., LTD (JP) 2003-08-12 US disclosed
WO-2002051431-A9 THERAPEUTIC AND/OR PREVENTIVE AGENTS FOR DISEASES DUE TO RETINAL ISCHEMIA ONO PHARMACEUTICAL CO (JP) 2002-09-26 WO disclosed
WO-2002051431-A1 THERAPEUTIC AND/OR PREVENTIVE AGENTS FOR DISEASES DUE TO RETINAL ISCHEMIA ONO PHARMACEUTICAL CO., LTD. (JP) 2002-07-04 WO disclosed
EP-1090912-A1 AMINO ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-04-11 EP 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 (7 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-20080096924-A1 Amorphous Composition CACNA1B, CACNA1I, TRPV1 CACNA1B 1/4885CYP2C19 1197/4885SMN1; SMN2 814/4885
US-20210030695-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS TRPV1, CACNA1B, ORAI1 CACNA1B 2/4885CYP2C19 4496/4885SMN1; SMN2 1185/4885
US-20230165812-A1 NOCICEPTOR NEURONS CONTROL CANCER IMMUNOSURVEILLANCE OPRL1, MRGPRX1, RAMP1 CACNA1B 33/4885CYP2C19 4625/4885SMN1; SMN2 1712/4885
US-20040067891-A1 Therapeutic and/or preventive agents for diseases due to retinal ischemia ALDH1A2, RBP4, GPR119 CACNA1B 1494/4885CYP2C19 4841/4885SMN1; SMN2 1712/4885
US-20210290561-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS TRPV1, CACNA1B, ORAI1 CACNA1B 2/4885CYP2C19 4496/4885SMN1; SMN2 1185/4885
US-20220016046-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS CACNA1B, TRPV1, ORAI1 CACNA1B 1/4885CYP2C19 4487/4885SMN1; SMN2 1153/4885
US-20030232806-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them CACNA1I, CACNA1S, CACNA1B CACNA1B 3/4885CYP2C19 3106/4885SMN1; SMN2 172/4885

“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.