SCHEMBL95247

SCHEMBL95247

[CH2]CN(C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
TAAR1 Q96RJ0 2/20 0.41
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
CHKA P35790 1/20 0.39
TSHR P16473 3/20 0.39
ALDH1A1 P00352 2/20 0.39
GRM5 P41594 1/20 0.37
FAAH O00519 1/20 0.37
PHGDH O43175 1/20 0.37
MGLL Q99685 1/20 0.37
GLA P06280 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
SCHEMBL73319 0.80 CA12 (0.44) CA12CA2CA9MEN1HTT
SCHEMBL11044440 0.78 CA12 (0.50) CA12CA2CA9MEN1HTT
SCHEMBL2201285 0.78 CA12 (0.50) CA12CA2CA9MEN1HTT
SCHEMBL5536973 0.77 CA12 (0.41) CA12CA2CA9MEN1HTT
SCHEMBL8529536 0.76 CA12 (0.48) CA12CA2CA9MEN1HTT
SCHEMBL21534 0.76 CA12 (0.48) CA12CA2CA9MEN1HTT
SCHEMBL5541825 0.75 APP (0.43) HTTTAAR1TSHRALDH1A1
SCHEMBL2091801 0.75 CHKA (0.43) CHKAALDH1A1
SCHEMBL2103019 0.75 CHRM5 (0.54) MEN1KMT2ACHKA
SCHEMBL5541551 0.75 SIGMAR1 (0.41) CA12CA2CA9TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113816934-B Synthesis method of disubstituted chromanone and application of disubstituted chromanone in treatment of pulmonary inflammation such as COPD (chronic infectious disease) 广东省科学院动物研究所 2023-08-01 CN claimed
WO-2023045302-A1 METHOD FOR SYNTHESIZING DISUBSTITUTED BENZODIHYDROPYRONE COMPOUND AND USE THEREOF IN TREATMENT OF PULMONARY INFLAMMATIONS SUCH AS COPD 广东省科学院动物研究所 2023-03-30 WO claimed
CN-113045527-B Dihydrothromone derivative and synthesis method and application thereof 广东省科学院动物研究所 2022-11-08 CN claimed
CN-113816934-A Synthesis method of disubstituted chromanone and application of disubstituted chromanone in treating pulmonary inflammation such as COPD (chronic obstructive pulmonary disease) 广东省科学院动物研究所 2021-12-21 CN claimed
CN-113045527-A Dihydrothromone derivative and synthesis method and application thereof 广东省科学院动物研究所 2021-06-29 CN claimed
EP-2515657-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-31 EP claimed
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-25 US claimed
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP claimed
CN-101410366-A Substituted bicyclic ring derivatives and uses thereof ASAHI KASEI PHARMA CORP (JP) 2009-04-15 CN claimed
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-03-05 US claimed
EP-0400660-A1 1,4-dihydropyridine derivatives FUJIREBIO INC. (JP) 1990-12-05 EP claimed
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
EP-0320984-A2 1,4-Dihydropyridine derivatives FUJIREBIO INC. (JP) 1989-06-21 EP claimed
EP-0131374-B1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF PENEM DERIVATIVES PFIZER INC. (US) 1988-11-23 EP 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
US-4619783-A BACTERICIDES PFIZER INC. (US) 1986-10-28 US claimed
EP-0131374-A1 Process and intermediates for the preparation of penem derivatives PFIZER INC. (US) 1985-01-16 EP claimed
EP-0063359-A1 1,4-Dihydropyridine derivatives and processes for preparing the same BANYU PHARMACEUTICAL CO., LTD. (JP) 1982-10-27 EP claimed

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-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 CA12 3810/4885CA2 1002/4885CA9 1576/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 CA12 3810/4885CA2 1002/4885CA9 1576/4885

“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.