SCHEMBL2962862

SCHEMBL2962862

CCOC(=O)CCn1cnc(C)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
TNF P01375 7/20 0.45
ALPL P05186 2/20 0.43
PLAA Q9Y263 1/20 0.43
ALDH1A1 P00352 2/20 0.43
ALPG P10696 1/20 0.43
KAT2B Q92831 1/20 0.41
CREBBP Q92793 1/20 0.41
QPCT Q16769 2/20 0.41
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TBXAS1 P24557 1/20 0.39

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
SCHEMBL36488 0.87 CYP1A2 (0.46) LMNAALPLPLAAALDH1A1ALPG
SCHEMBL28813539 0.85 QPCT (0.45) ALPLPLAAALDH1A1ALPGKAT2B
SCHEMBL28403089 0.84 TSHR (0.41) LMNATNFALPLPLAAALDH1A1
SCHEMBL3711683 0.83 RAB9A (0.54) LMNAALPLPLAAALDH1A1ALPG
SCHEMBL28290763 0.80 MITF (0.52) LMNATNFALDH1A1RAB9ASMN1; SMN2
SCHEMBL28796556 0.80 ALPL (0.48) ALPLPLAAALPGQPCT
SCHEMBL4418553 0.79 ALDH1A1 (0.59) LMNAALDH1A1RAB9ASMN1; SMN2
SCHEMBL1178282 0.78 ALPL (0.47) ALPLPLAAALPGQPCT
SCHEMBL23959823 0.76 TNF (0.48) LMNATNFTBXAS1
SCHEMBL29852373 0.75 TNF (0.47) LMNATNFTBXAS1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105439908-B The method that one kind catalyzes and synthesizes N, N ' 2-substituted carbamides derivative and imdazole derivatives 台州学院 2017-10-03 CN disclosed
CN-105439908-A Method for catalytically synthesizing N, N'-disubstituted urea derivative and imidazole derivative UNIV TAIZHOU 2016-03-30 CN disclosed
US-8492384-B2 Imidazolylalkylcarbonyl derivatives as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-07-23 US disclosed
US-7763728-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-07-27 US disclosed
US-7714136-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-05-11 US disclosed
US-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-12-31 US disclosed
US-20090258873-A1 Novel tetrahydropyridothiophenes PEKARI KLAUS 2009-10-15 US disclosed
US-20090257977-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES PEKARI KLAUS 2009-10-15 US disclosed
US-20080260749-A1 Novel Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2008-10-23 US disclosed
US-20080206258-A1 Novel Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2008-08-28 US disclosed
EP-1896484-A2 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER Nycomed GmbH (DE) 2008-03-12 EP disclosed
EP-1893618-A2 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER Nycomed GmbH (DE) 2008-03-05 EP disclosed
WO-2006125815-A2 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER NYCOMED GMBH (DE) 2006-11-30 WO disclosed
WO-2006125813-A2 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER NYCOMED GMBH (DE) 2006-11-30 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 (5 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-20090257977-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES BAX, BCL2, CCAR2 LMNA 4066/4885TNF 213/4885ALPL 4099/4885
US-20080260749-A1 Novel Tetrahydropyridothiophenes BAX, BCL2, CCAR2 LMNA 3874/4885TNF 178/4885ALPL 4077/4885
US-20080206258-A1 Novel Tetrahydropyridothiophenes BAX, BCL2, CCAR2 LMNA 3874/4885TNF 178/4885ALPL 4077/4885
US-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF CACNA1B, CACNA1C, ORAI1 LMNA 936/4885TNF 4685/4885ALPL 2767/4885
US-20090258873-A1 Novel tetrahydropyridothiophenes BAX, BCL2, CCAR2 LMNA 4066/4885TNF 213/4885ALPL 4099/4885

“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.