SCHEMBL610906

SCHEMBL610906

CC1=C(C(=O)O)C(c2cccc3nonc23)C(C(=O)O)=C(C)N1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 5/20 0.65
KMT2A Q03164 5/20 0.65
CYP1A2 P05177 4/20 0.65
CYP3A4 P08684 4/20 0.65
CYP2C19 P33261 4/20 0.65
MEN1 O00255 4/20 0.65
CACNA1C Q13936 3/20 0.65
NR1I2 O75469 2/20 0.65
ABCB11 O95342 2/20 0.65
NR3C1 P04150 2/20 0.65
ADORA3 P0DMS8 2/20 0.65
CYP2D6 P10635 2/20 0.65
TBXA2R P21731 2/20 0.65
OPRK1 P41145 2/20 0.65
SLC6A3 Q01959 2/20 0.65
PDE4D Q08499 2/20 0.65
SCN5A Q14524 2/20 0.65
NPSR1 Q6W5P4 2/20 0.65
MLNR O43193 1/20 0.65
CYP2C8 P10632 1/20 0.65

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
SCHEMBL4801745 0.92 CYP2C9 (0.78) CYP2C9KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL10724135 0.92 CYP2C9 (0.78) CYP2C9KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL10910419 0.89 CACNA1C (0.54) CYP2C9KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL10913306 0.89 KMT2A (0.54) CYP2C9KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL10913461 0.89 KMT2A (0.54) CYP2C9KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL10924747 0.89 CYP1A2 (0.84) CYP2C9KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL4797084 0.89 CYP1A2 (0.84) CYP2C9KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL10913148 0.88 CYP1A2 (0.53) CYP2C9KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL7446251 0.87 MAPT (0.75) CYP2C9KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL10912830 0.86 CYP2C9 (0.59) CYP2C9KMT2ACYP1A2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111110854-A Composition comprising a histamine release-promoting substance and an inhibitory compound 黄泳华 2020-05-08 CN claimed
CN-111097050-A Composition comprising fatty acid or derivative thereof and phenylpyridine derivative 黄泳华 2020-05-05 CN claimed
EP-0202282-B1 NEW USE OF 1,4-DIHYDROPYRIDINE DERIVATIVES SANDOZ AG (CH) 1992-07-08 EP claimed
EP-0094159-B1 DIHYDROPYRIDINE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1990-03-14 EP claimed
US-4510150-A 4-(2,1,3-BENZ-OXA-OR-THIA-DIAZOLYL)-1,4-DIHYDROPYRIDINES AND A BETA-BLOCKER SANDOZ LTD. (CH) 1985-04-09 US claimed
US-20240002440-A1 AGONISTS OF GUANYLATE CYCLASE USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS, INFLAMMATION, CANCER AND OTHER DISORDERS JPMORGAN CHASE BANK, N.A. 2024-01-04 US disclosed
US-11834521-B2 Ultra-pure agonists of guanylate cyclase C, method of making and using same BAUSCH HEALTH IRELAND LIMITED (IE) 2023-12-05 US disclosed
US-20230340023-A1 ULTRA-PURE AGONISTS OF GUANYLATE CYCLASE C, METHOD OF MAKING AND USING SAME JPMORGAN CHASE BANK, N.A. 2023-10-26 US disclosed
US-11319346-B2 Ultra-pure agonists of guanylate cyclase C, method of making and using same BAUSCH HEALTH IRELAND LIMITED (IE) 2022-05-03 US disclosed
US-20220119449-A1 ULTRA-PURE AGONISTS OF GUANYLATE CYCLASE C, METHOD OF MAKING AND USING SAME BAUSCH HEALTH IRELAND LIMITED (IE) 2022-04-21 US disclosed
US-20210403508-A1 ULTRA-PURE AGONISTS OF GUANYLATE CYCLASE C, METHOD OF MAKING AND USING SAME JPMORGAN CHASE BANK, N.A. 2021-12-30 US disclosed
US-11142549-B2 Ultra-pure agonists of guanylate cyclase C, method of making and using same BAUSCH HEALTH IRELAND LIMITED (IE) 2021-10-12 US disclosed
WO-2002058731-A2 COMBINATIONS OF STEROL ABSORPTION INHIBITOR(S) WITH CARDIOVASCULAR AGENT(S) FOR THE TREATMENT OF VASCULAR CONDITIONS SCHERING CORPORATION (US) 2002-08-01 WO disclosed
US-20020049155-A1 Cobalamin compounds useful as cardiovascular agents and as imaging agents HOGENKAMP HENRICUS P C (US) 2002-04-25 US disclosed
US-5209933-A A dihydropyridine compound SYNTEX (U.S.A.) INC. (US) 1993-05-11 US disclosed
US-5198226-A Sustained release SYNTEX (U.S.A.) INC. (US) 1993-03-30 US disclosed
US-5064839-A Vasodilators, coronary disorders, hypotensive BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1991-11-12 US disclosed
US-4994461-A Vasodilators; treating cardiovascular disorders BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1991-02-19 US disclosed
US-4940556-A SUSTAINED RELEASE OF CALCIUM CHANNEL BLOCKERS SYNTEX (U.S.A.) INC. (US) 1990-07-10 US disclosed
EP-0301133-A2 Long acting formulation SYNTEX (U.S.A.) INC. (US) 1989-02-01 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-20230340023-A1 ULTRA-PURE AGONISTS OF GUANYLATE CYCLASE C, METHOD OF MAKING AND USING SAME GUCY1A1, GUCY1A2, GUCY1B1 CYP2C9 3101/4885KMT2A 3991/4885CYP1A2 2564/4885
US-20210403508-A1 ULTRA-PURE AGONISTS OF GUANYLATE CYCLASE C, METHOD OF MAKING AND USING SAME GUCY1A1, GUCY1A2, GUCY1B1 CYP2C9 3101/4885KMT2A 3991/4885CYP1A2 2564/4885
US-11142549-B2 Ultra-pure agonists of guanylate cyclase C, method of making and using same GUCY1A1, GUCY1A2, GUCY1B1 CYP2C9 3101/4885KMT2A 3991/4885CYP1A2 2564/4885
US-20020049155-A1 Cobalamin compounds useful as cardiovascular agents and as imaging agents APOB, MMAB, CBS CYP2C9 578/4885KMT2A 4129/4885CYP1A2 1311/4885
US-20220119449-A1 ULTRA-PURE AGONISTS OF GUANYLATE CYCLASE C, METHOD OF MAKING AND USING SAME GUCY1A1, GUCY1A2, GUCY1B1 CYP2C9 3101/4885KMT2A 3991/4885CYP1A2 2564/4885
US-11319346-B2 Ultra-pure agonists of guanylate cyclase C, method of making and using same GUCY1A1, GUCY1A2, GUCY1B1 CYP2C9 3101/4885KMT2A 3991/4885CYP1A2 2564/4885
US-11834521-B2 Ultra-pure agonists of guanylate cyclase C, method of making and using same GUCY1A1, GUCY1A2, GUCY1B1 CYP2C9 3101/4885KMT2A 3991/4885CYP1A2 2564/4885

“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.