SCHEMBL771676

SCHEMBL771676

[CH2]CN1CCCN(C)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHKA P35790 7/20 0.47
CA2 P00918 1/20 0.44
NCF1 P14598 1/20 0.44
PRMT6 Q96LA8 1/20 0.44
SIGMAR1 Q99720 3/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL213234 0.89
SCHEMBL1786892 0.83 CHKA (0.46) CHKACA2NCF1PRMT6SIGMAR1
SCHEMBL27250180 0.81 CHKA (0.52) CHKACA2NCF1PRMT6SIGMAR1
SCHEMBL645664 0.81
SCHEMBL23874621 0.79 CHKA (0.50) CHKACA2NCF1PRMT6SIGMAR1
SCHEMBL23269590 0.79 CHKA (0.50) CHKACA2NCF1PRMT6SIGMAR1
SCHEMBL11955737 0.78 CHKA (0.48) CHKACA2NCF1PRMT6SIGMAR1
SCHEMBL771417 0.77 KMT2A (0.39) KDM4EALDH1A1
SCHEMBL23269592 0.77 CHKA (0.48) CHKACA2NCF1PRMT6SIGMAR1
SCHEMBL81725 0.77 CHKA (0.48) CHKACA2NCF1PRMT6SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4958024-A REACTION OF CARBAMATE SUBSTITUTED ACRYLIC ESTER, VASODILATORS, HYPOTENSIVE AGENTS BANYU PHARMACEUTICAL COMPANY, LTD. (JP) 1990-09-18 US claimed
US-4914227-A FOR VASODILATING AND HYPOTENSIVE AGENTS BANYU PHARMACEUTICAL COMPANY, LTD. (JP) 1990-04-03 US claimed
US-4739106-A VASODILATION, HYPOTENSIVE AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1988-04-19 US claimed
EP-0101023-B1 PROCESS FOR PREPARING 2-CARBAMOYLOXYALKYL-1,4-DIHYDROPYRIDINE DERIVATIVES AND INTERMEDIATES USEFUL FOR THE PROCESS BANYU PHARMACEUTICAL CO., LTD. (JP) 1987-07-29 EP claimed
EP-0101023-A1 Process for preparing 2-carbamoyloxyalkyl-1,4-dihydropyridine derivatives and intermediates useful for the process BANYU PHARMACEUTICAL CO., LTD. (JP) 1984-02-22 EP claimed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed
WO-2009106561-A1 PYRAZINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2009-09-03 WO disclosed
EP-2059516-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (publ) (SE) 2009-05-20 EP disclosed
US-4914227-A FOR VASODILATING AND HYPOTENSIVE AGENTS BANYU PHARMACEUTICAL COMPANY, LTD. (JP) 1990-04-03 US disclosed
US-4739106-A VASODILATION, HYPOTENSIVE AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1988-04-19 US disclosed
US-4728644-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1988-03-01 US disclosed
EP-0101023-B1 PROCESS FOR PREPARING 2-CARBAMOYLOXYALKYL-1,4-DIHYDROPYRIDINE DERIVATIVES AND INTERMEDIATES USEFUL FOR THE PROCESS BANYU PHARMACEUTICAL CO., LTD. (JP) 1987-07-29 EP disclosed
EP-0168500-A1 PURINE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND MEDICINAL COMPOSITION CONTAINING SAME Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1986-01-22 EP disclosed
EP-0101023-A1 Process for preparing 2-carbamoyloxyalkyl-1,4-dihydropyridine derivatives and intermediates useful for the process BANYU PHARMACEUTICAL CO., LTD. (JP) 1984-02-22 EP disclosed
US-4051250-A OXAZOLE, THIAZOLE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-09-27 US disclosed
US-3933840-A ANTIPHLOGISTIC MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1976-01-20 US 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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 CHKA 2881/4885CA2 2701/4885NCF1 544/4885

“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.