SCHEMBL4388519

SCHEMBL4388519

CC(=O)NCCc1cn(C)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
CYP2C19 P33261 1/20 0.51
MTOR P42345 1/20 0.51
HRH4 Q9H3N8 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
NAMPT P43490 2/20 0.47
MTNR1A P48039 5/20 0.41
KDM4E B2RXH2 2/20 0.41
F13A1 P00488 1/20 0.41
QPCT Q16769 1/20 0.41
QPCTL Q9NXS2 1/20 0.41
MTNR1B P49286 2/20 0.40
ACACB O00763 1/20 0.40
NQO2 P16083 2/20 0.40
PIK3CA P42336 1/20 0.39
PIK3CG P48736 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL12827371 0.88 CYP2C9 (0.46) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL31483078 0.85 CYP2C9 (0.54) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL12332384 0.83 NPSR1 (0.49) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL12662749 0.81 CPB2 (0.50) MTNR1AKDM4EF13A1QPCTQPCTL
SCHEMBL12662747 0.81 CPB2 (0.48) NAMPTMTNR1AKDM4EF13A1QPCT
SCHEMBL13256665 0.80 CPB2 (0.41) TSHRCYP2C19NAMPTMTNR1AKDM4E
SCHEMBL12662753 0.80 PIK3CG (0.40) MTNR1AKDM4EF13A1QPCTQPCTL
SCHEMBL12827372 0.79 CYP2C9 (0.44) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL2084230 0.79 ALDH1A1 (0.48) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL18381371 0.79 NAMPT (0.43) CYP2C9TSHRCYP2C19MTORHRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219970-A1 DIHYDROCHROMENE DERIVATIVES Sumitomo Pharma Co., Ltd. (JP) 2023-07-13 US disclosed
US-11639357-B2 Dihydrochromene derivatives Sumitomo Pharma Co., Ltd. (JP) 2023-05-02 US disclosed
US-20210002290-A1 DIHYDROCHROMENE DERIVATIVES SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2021-01-07 US disclosed
US-10807993-B2 Dihydrochromene derivatives SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2020-10-20 US disclosed
US-20200216461-A1 DIHYDROCHROMENE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2020-07-09 US disclosed
US-8524694-B2 Aminoalkylsterol compounds with antitumoral and neuroprotective activity INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2013-09-03 US disclosed
US-20110275604-A1 AMINOALKYLSTEROL COMPOUNDS WITH ANTITUMORAL AND NEUROPROTECTIVE ACTIVITY INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2011-11-10 US disclosed
US-7947668-B2 Aminoalkyl sterol compounds having an anti-tumoral and neuroprotective activity INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2011-05-24 US disclosed
US-7612075-B2 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2009-11-03 US disclosed
EP-1051176-A4 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARM PROD INC (US) 2002-06-12 EP disclosed
EP-1051176-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2000-11-15 EP disclosed
WO-1999037304-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-07-29 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 (6 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-20110275604-A1 AMINOALKYLSTEROL COMPOUNDS WITH ANTITUMORAL AND NEUROPROTECTIVE ACTIVITY CYP27A1, NLN, NR1H3 CYP2C9 3756/4885TSHR 4063/4885CYP2C19 2860/4885
US-20200216461-A1 DIHYDROCHROMENE DERIVATIVE H1-3, H1-2, TPD52L2 CYP2C9 3402/4885TSHR 1895/4885CYP2C19 2567/4885
US-20210002290-A1 DIHYDROCHROMENE DERIVATIVES H1-3, H1-2, H1-0 CYP2C9 3352/4885TSHR 1891/4885CYP2C19 2507/4885
US-11639357-B2 Dihydrochromene derivatives H1-3, H1-2, H1-0 CYP2C9 3352/4885TSHR 1891/4885CYP2C19 2507/4885
US-20230219970-A1 DIHYDROCHROMENE DERIVATIVES H1-3, H1-2, H1-0 CYP2C9 3352/4885TSHR 1891/4885CYP2C19 2507/4885
US-10807993-B2 Dihydrochromene derivatives H1-3, H1-2, H1-0 CYP2C9 3352/4885TSHR 1891/4885CYP2C19 2507/4885

“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.