SCHEMBL7751971

SCHEMBL7751971

CNC(=O)NCCC(C)C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 3/20 0.50
RNPEP Q9H4A4 2/20 0.50
DNPEP Q9ULA0 2/20 0.50
SMN1; SMN2 Q16637 4/20 0.43
RAB9A P51151 3/20 0.43
GAA P10253 1/20 0.43
NPC1 O15118 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
EPHX1 P07099 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MMP2 P08253 1/20 0.38
MMP8 P22894 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
SCHEMBL13853873 0.90 NAMPT (0.49) ANPEPRNPEPDNPEPSMN1; SMN2RAB9A
SCHEMBL2824432 0.87 ANPEP (0.55) ANPEPRNPEPDNPEPSMN1; SMN2RAB9A
SCHEMBL14996231 0.85 KEAP1 (0.49) ANPEPRNPEPDNPEPSMN1; SMN2KEAP1
SCHEMBL13637637 0.84 ALDH1A1 (0.48) ANPEPRNPEPDNPEPKEAP1NFE2L2
SCHEMBL9699575 0.79 ANPEP (0.48) ANPEPRNPEPDNPEPSMN1; SMN2RAB9A
SCHEMBL12787079 0.79 EPHX1 (0.57) ANPEPRNPEPDNPEPSMN1; SMN2RAB9A
SCHEMBL7750816 0.79 ANPEP (0.48) ANPEPRNPEPDNPEPSMN1; SMN2RAB9A
SCHEMBL10224058 0.79 EPHX1 (0.60) ANPEPRNPEPDNPEPSMN1; SMN2RAB9A
SCHEMBL4545266 0.79 KEAP1 (0.48) SMN1; SMN2KEAP1NFE2L2EPHX1HSD17B10
Hydrochloric Acid SCHEMBL8718980 0.77 ANPEP (0.52) ANPEPRNPEPDNPEPSMN1; SMN2RAB9A

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
EP-3340983-B1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS INC (US) 2023-10-04 EP disclosed
WO-2021007307-A1 BCL-2 PROTEIN INHIBITORS RECURIUM IP HOLDINGS, LLC (US) 2021-01-14 WO disclosed
US-8354418-B2 Thiazolyl-dihydro-quinazolines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-15 US disclosed
US-20090131424-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-21 US disclosed
US-7517995-B2 Thiazolyl-dihydro-cyclopentapyrazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-14 US disclosed
US-20090082369-A1 Pyrrolo[2,3d]pyrimidine compositions and their use OSI PHARMACEUTICALS, INC. 2009-03-26 US disclosed
US-7429574-B2 4-heterocyclo-pyrrolo[2,3d] pyrimidine compositions and their use OSI PHARMACEUTICALS, INC. (US) 2008-09-30 US disclosed
US-20070238746-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 US disclosed
US-20070238730-A1 THIAZOLYL-DIHYDRO-CYCLOPENTAPYRAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 US disclosed
US-7160890-B2 Compounds specific to adenosine A3 receptor and uses thereof OSI PHARMACEUTICALS, INC. (US) 2007-01-09 US disclosed
US-6680324-B2 4-AMINO-6-PHENYL-PYRROLO(2,3-D)PYRIMIDINE DERIVATIVES OSI PHARMACEUTICALS, INC. 2004-01-20 US disclosed
US-5147857-A Enzyme inhibitors MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1992-09-15 US disclosed
EP-0501280-A2 Renin-inhibiting peptide analogues MERCK PATENT GmbH (DE) 1992-09-02 EP disclosed
EP-0446751-A1 Glycolic acid derivatives MERCK PATENT GmbH (DE) 1991-09-18 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 (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-20070238746-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE CYP3A7, UGT2B7, UGT1A7 ANPEP 4349/4885RNPEP 3550/4885DNPEP 1901/4885
US-20090131424-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE CYP3A7, UGT2B7, UGT1A7 ANPEP 4349/4885RNPEP 3550/4885DNPEP 1901/4885
US-20090082369-A1 Pyrrolo[2,3d]pyrimidine compositions and their use ADORA3, ADORA2A, ADORA1 ANPEP 2320/4885RNPEP 1079/4885DNPEP 1122/4885
US-20070238730-A1 THIAZOLYL-DIHYDRO-CYCLOPENTAPYRAZOLE REN, ROR1, RORB ANPEP 4013/4885RNPEP 2453/4885DNPEP 738/4885

“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.