SCHEMBL977949

SCHEMBL977949

O=C(O)c1cc2c(s1)CCNC2

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 5/20 0.73
DAO P14920 1/20 0.59
ALDH1A1 P00352 1/20 0.59
TPSAB1 Q15661 1/20 0.50
TPSD1 Q9BZJ3 1/20 0.50
TPSG1 Q9NRR2 1/20 0.50
ITGB3 P05106 6/20 0.49
ITGA2B P08514 6/20 0.49
F10 P00742 1/20 0.43
TSHR P16473 2/20 0.42
SLC6A1 P30531 1/20 0.42
SLC6A13 Q9NSD5 1/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRR1 P24046 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 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
Hydrochloric Acid SCHEMBL3441470 0.98 PNMT (0.71) PNMTDAOALDH1A1TPSAB1TPSD1
Trifluoroacetic Acid SCHEMBL8457040 0.91 PNMT (0.62) PNMTDAOALDH1A1TPSAB1TPSD1
SCHEMBL6421249 0.90 ALDH1A1 (0.65) PNMTDAOALDH1A1TPSAB1TPSD1
SCHEMBL11174836 0.88 ALDH1A1 (0.66) PNMTDAOALDH1A1TPSAB1TPSD1
SCHEMBL1173969 0.86 ALDH1A1 (0.59) PNMTDAOALDH1A1TPSAB1TPSD1
SCHEMBL6421837 0.85 PNMT (1.00) PNMTDAOALDH1A1TPSAB1TPSD1
SCHEMBL977061 0.84 PNMT (0.70) PNMTDAOALDH1A1TPSAB1TPSD1
Hydrochloric Acid SCHEMBL6421343 0.83 PNMT (0.68) PNMTDAOALDH1A1TPSAB1TPSD1
Hydrochloric Acid SCHEMBL19712091 0.82 ALDH1A1 (0.53) PNMTDAOALDH1A1TPSAB1TPSD1
SCHEMBL28533972 0.81 PNMT (0.70) PNMTALDH1A1TPSAB1TPSD1TPSG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190055260-A1 OPTICALLY ACTIVE 2-HYDROXY TETRAHYDROTHIENOPYRIDINE DERIVATIVES, PREPARATION METHOD AND USE IN MANUFACTURE OF MEDICAMENT THEREOF JIANGSU VCARE PHARMATECH CO., LTD. (CN) 2019-02-21 US claimed
US-20130165476-A1 OPTICALLY ACTIVE 2-HYDROXY TETRAHYDROTHIENOPYRIDINE DERIVATIVES, PREPARATION METHOD AND USE IN MANUFACTURE OF MEDICAMENT THEREOF JIANGSU VCARE PHARMATECH CO., LTD. (CN) 2013-06-27 US claimed
EP-2532668-A1 OPTICALLY ACTIVE 2-HYDROXY TETRAHYDROTHIENOPYRIDINE DERIVATIVES, PREPARATION METHOD AND USE IN MANUFACTURE OF MEDICAMENT THEREOF Jiangsu Vcare Pharmatech Co., Ltd (CN) 2012-12-12 EP claimed
JP-63002992-A None JP disclosed
EP-3290423-B1 OPTICALLY ACTIVE 2-HYDROXY TETRAHYDROTHIENOPYRIDINE DERIVATIVES, PREPARATION METHOD AND USE IN MANUFACTURE OF MEDICAMENT THEREOF JIANGSU VCARE PHARMATECH CO LTD (CN) 2021-07-21 EP disclosed
WO-2021113686-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION (US) 2021-06-10 WO disclosed
US-20190055260-A1 OPTICALLY ACTIVE 2-HYDROXY TETRAHYDROTHIENOPYRIDINE DERIVATIVES, PREPARATION METHOD AND USE IN MANUFACTURE OF MEDICAMENT THEREOF JIANGSU VCARE PHARMATECH CO., LTD. (CN) 2019-02-21 US disclosed
US-10000506-B2 Optically active 2-hydroxy tetrahydrothienopyridine derivatives, preparation method and use in manufacture of medicament thereof JIANGSU VCARE PHARMATECH CO., LTD. (CN) 2018-06-19 US disclosed
EP-3290423-A1 OPTICALLY ACTIVE 2-HYDROXY TETRAHYDROTHIENOPYRIDINE DERIVATIVES, PREPARATION METHOD AND USE IN MANUFACTURE OF MEDICAMENT THEREOF Jiangsu Vcare Pharmatech Co., Ltd (CN) 2018-03-07 EP disclosed
EP-2532668-B1 OPTICALLY ACTIVE 2-HYDROXY TETRAHYDROTHIENOPYRIDINE DERIVATIVES, PREPARATION METHOD AND USE IN MANUFACTURE OF MEDICAMENT THEREOF JIANGSU VCARE PHARMATECH CO LTD (CN) 2017-05-24 EP disclosed
US-20170121341-A1 OPTICALLY ACTIVE 2-HYDROXY TETRAHYDROTHIENOPYRIDINE DERIVATIVES, PREPARATION METHOD AND USE IN MANUFACTURE OF MEDICAMENT THEREOF JIANGSU VCARE PHARMATECH CO., LTD. (CN) 2017-05-04 US disclosed
US-6407112-B1 2A,3,4,5-TETRAHYDRO-1H-BENZ(CD)INDOL-2-ONE DERIVATIVES; 5-HYDROXYTRYPTAMINE AGONISTS; SLEEP, CIRCADIAN RHYTHYM, BIPOLAR, AND PSYCHOLOGICAL DISORDER TREATMENT MEIJI SEIKA KAISHA, LTD. (JP) 2002-06-18 US disclosed
EP-1081136-A1 OPTICALLY ACTIVE TETRAHYDROBENZINDOLE DERIVATIVES Meiji Seika Kaisha, Ltd. (JP) 2001-03-07 EP disclosed
EP-1057814-A1 TETRAHYDROBENZINDOLE DERIVATIVES Meiji Seika Kaisha, Ltd. (JP) 2000-12-06 EP disclosed
JP-2000273097-A PRODUCTION OF 4,5,6,7-TETRAHYDROTHIENO[3,2c]PYRIDINE-2- CARBOXYLIC ACID DERIVATIVE FUJI PHOTO FILM CO LTD 2000-10-03 JP disclosed
EP-0641770-B1 NOVEL COMPOUND WITH PLATELET AGGREGATION INHIBITOR ACTIVITY MEIJI SEIKA CO (JP) 1998-05-13 EP disclosed
US-5698692-A INHIBIT BINDING BETWEEN PLATELET MEMBRANE GLYCOPROTEIN AND FIBRINOGEN MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-12-16 US disclosed
US-5594004-A CARDIOVASCULAR DISORDERS AND ANTICOAGULANTS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-01-14 US disclosed
EP-0641770-A1 NOVEL COMPOUND WITH PLATELET AGGREGATION INHIBITOR ACTIVITY MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-03-08 EP disclosed
JP-S632992-A THIENO(3,2-C)PYRIDINE DERIVATIVE AND PRODUCTION THEREOF DAITO KOEKI KK 1988-01-07 JP 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-10000506-B2 Optically active 2-hydroxy tetrahydrothienopyridine derivatives, preparation method and use in manufacture of medicament thereof TFPI, DHPS, THPO PNMT 172/4885DAO 1442/4885ALDH1A1 186/4885
US-20130165476-A1 OPTICALLY ACTIVE 2-HYDROXY TETRAHYDROTHIENOPYRIDINE DERIVATIVES, PREPARATION METHOD AND USE IN MANUFACTURE OF MEDICAMENT THEREOF TFPI, DHPS, THPO PNMT 172/4885DAO 1442/4885ALDH1A1 186/4885
US-20170121341-A1 OPTICALLY ACTIVE 2-HYDROXY TETRAHYDROTHIENOPYRIDINE DERIVATIVES, PREPARATION METHOD AND USE IN MANUFACTURE OF MEDICAMENT THEREOF TFPI, DHPS, THPO PNMT 172/4885DAO 1442/4885ALDH1A1 186/4885
US-20190055260-A1 OPTICALLY ACTIVE 2-HYDROXY TETRAHYDROTHIENOPYRIDINE DERIVATIVES, PREPARATION METHOD AND USE IN MANUFACTURE OF MEDICAMENT THEREOF TFPI, DHPS, THPO PNMT 172/4885DAO 1442/4885ALDH1A1 186/4885

“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.