SCHEMBL566741

SCHEMBL566741

O=C1CCC(N(Cc2ccccc2)C(=O)O)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AGER Q15109 3/20 0.49
MTNR1A P48039 1/20 0.49
CHRM2 P08172 1/20 0.49
CHRM3 P20309 1/20 0.49
OPRM1 P35372 6/20 0.48
CTSD P07339 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
DCUN1D1 Q96GG9 1/20 0.43
LMNA P02545 2/20 0.42
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL3370759 0.88 AGER (0.55) AGERMTNR1ACHRM2CHRM3OPRM1
SCHEMBL16908761 0.86 C5AR1 (0.51) AGEROPRM1L3MBTL1MEN1KMT2A
SCHEMBL28019674 0.85 CCR5 (0.47) AGERMTNR1ACHRM2CHRM3OPRM1
SCHEMBL803784 0.84 CCR5 (0.45) AGERMTNR1ACHRM2CHRM3OPRM1
SCHEMBL2814615 0.83 AGER (0.67) AGERMTNR1ACHRM2CHRM3OPRM1
SCHEMBL17352482 0.83 CTSD (0.50) AGERMTNR1ACHRM2CHRM3OPRM1
SCHEMBL1964546 0.82 HSD11B1 (0.53) AGERMTNR1ACHRM2CHRM3OPRM1
SCHEMBL562409 0.81 AGER (0.48) AGERMTNR1ACHRM2CHRM3OPRM1
SCHEMBL736914 0.81 AGER (0.50) AGERMTNR1ACHRM2CHRM3OPRM1
SCHEMBL736913 0.81 AGER (0.50) AGERMTNR1ACHRM2CHRM3OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040981-A1 THIENOPYRIMIDINE AS CDC7 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-16 US disclosed
US-20120035213-A1 Quinoline derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-02-09 US disclosed
WO-2011117798-A1 3-(HETEROARYL-AMINO)-1,2,3,4-TETRAHYDRO-9H-CARBAZOLE DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2011-09-29 WO disclosed
US-7160894-B2 Antagonist of phosphorylation of myosin regulatory light chain, enzyme inhibitors; therapeutic treatment of glaucoma, bronchial asthma, chronic obstructive pulmonary disease, nervous system disorders; 4-(2,3-dihydro-1,5-diazaphenalen-1-yl)cyclohexylamine ASAHI KASEI PHARMA CORPORATION (JP) 2007-01-09 US disclosed
EP-1632492-A1 TRICYCLIC COMPOUND Asahi Kasei Pharma Corporation (JP) 2006-03-08 EP disclosed
US-20050096310-A1 Tricyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2005-05-05 US 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 (3 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-20050096310-A1 Tricyclic compound MYLK3, CSNK1A1L, MYLK AGER 4712/4885MTNR1A 527/4885CHRM2 42/4885
US-20120040981-A1 THIENOPYRIMIDINE AS CDC7 KINASE INHIBITORS CDC7, CDK7, DTYMK AGER 3825/4885MTNR1A 4590/4885CHRM2 4859/4885
US-20120035213-A1 Quinoline derivative MC1R, MCHR1, MCHR2 AGER 2254/4885MTNR1A 12/4885CHRM2 599/4885

“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.