SCHEMBL2182415

SCHEMBL2182415

O=CNCCN1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.48
ANPEP P15144 1/20 0.46
ERAP2 Q6P179 1/20 0.46
RAD52 P43351 1/20 0.46
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
GNAI3 P08754 1/20 0.40
GNAO1 P09471 1/20 0.40
GNAI1 P63096 1/20 0.40
CXCR4 P61073 2/20 0.39
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL6538152 0.93 CXCR4 (0.52) HSD17B10ANPEPERAP2RAD52CYP3A4
SCHEMBL13478087 0.88 HSD17B10 (0.38) HSD17B10ANPEPERAP2RAD52CYP3A4
SCHEMBL1306352 0.88 CXCR4 (0.46) HSD17B10ANPEPERAP2RAD52CYP3A4
SCHEMBL14431493 0.84
SCHEMBL5748707 0.80
SCHEMBL1307631 0.80 CARM1 (0.50) POLBALDH1A1GNAI3GNAO1GNAI1
SCHEMBL845511 0.80 HSD17B10 (0.57) HSD17B10ANPEPERAP2RAD52CYP3A4
SCHEMBL6007445 0.78 CHRM5 (0.36) HSD17B10ANPEPERAP2RAD52CYP3A4
SCHEMBL19981892 0.78 CARM1 (0.48) MEN1KMT2APOLBALDH1A1L3MBTL1
SCHEMBL348039 0.78 CARM1 (0.48) MEN1KMT2APOLBALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-07 US claimed
WO-2010014798-A2 PYRIMIDOTRIAZINEDIONES AND PYRIMIDOPYRIMIDINEDIONES AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-02-04 WO claimed
EP-0649893-B1 Adhesive tape for electronic parts and liquid adhesive TOMOEGAWA PAPER CO LTD (JP) 1998-05-20 EP claimed
US-5500294-A MODIFIED ACRYLONITRILE-BUTADIENE COPOLYMER TOMOEGAWA PAPER CO., LTD. (JP) 1996-03-19 US claimed
EP-0649893-A1 Adhesive tape for electronic parts and liquid adhesive TOMOEGAWA PAPER CO. LTD. (JP) 1995-04-26 EP claimed
JP-7130772-A None JP disclosed
JP-8333553-A None JP disclosed
JP-7126592-A None JP disclosed
JP-7126591-A None JP disclosed
US-20230181524-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF NATURAL MEDICINE INSTITUTE OF ZHEJIANG YANGSHENGTANG CO., LTD. (CN) 2023-06-15 US disclosed
US-11518871-B2 Blends of polyolefins with functionalized polybutadienes BRASKEM AMERICA, INC. (US) 2022-12-06 US disclosed
CN-115427032-A Pharmaceutical composition and use thereof 浙江养生堂天然药物研究所有限公司 2022-12-02 CN disclosed
US-4990507-A Cardiotonic agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-02-05 US disclosed
US-4931453-A CARDIOVASCULAR, HYPOTENSIVE AGENTS FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-06-05 US disclosed
US-4863942-A Novel resorcinol ethers and anti-inflammatory and anti-allergic use thereof CIBA-GEIGY CORPORATION (US) 1989-09-05 US disclosed
US-4857527-A HYPOTENSIVE, ANTISCHEMIC AGENT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-08-15 US disclosed
US-4831030-A FOR CEREBROVASCULAR DISEASES; HYPERTENSIVE AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-05-16 US disclosed
EP-0311322-A2 Pyridine or pyridazine derivatives as cardio-protective agents and for the treatment of ischemic disease, and process for their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-04-12 EP disclosed
EP-0228845-A2 N-containing heterocyclic compounds, processes for the preparation thereof and composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-07-15 EP disclosed
EP-0165897-A2 Resorcin ethers CIBA-GEIGY AG (CH) 1985-12-27 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 (2 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-20230181524-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF TCF4, TCF7L2, CTNNB1 HSD17B10 1725/4885ANPEP 4721/4885ERAP2 3830/4885
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR HSD17B10 962/4885ANPEP 1232/4885ERAP2 1632/4885

“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.