SCHEMBL95814

SCHEMBL95814

[CH2]CCN1CCC(c2ccccc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 3/20 0.69
DRD2 P14416 1/20 0.69
SIGMAR1 Q99720 4/20 0.63
CARM1 Q86X55 1/20 0.63
PRMT6 Q96LA8 1/20 0.63
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
TP53 P04637 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
TSHR P16473 1/20 0.61
CYP2C19 P33261 1/20 0.61
KCNA3 P22001 1/20 0.57
CHRNA7 P36544 1/20 0.51

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
SCHEMBL3458641 0.89 SIGMAR1 (0.69) SLC18A3DRD2SIGMAR1CARM1PRMT6
SCHEMBL2097765 0.88 SIGMAR1 (0.69) SLC18A3DRD2SIGMAR1CARM1PRMT6
SCHEMBL9434095 0.86 SIGMAR1 (0.70) SLC18A3DRD2SIGMAR1CARM1PRMT6
SCHEMBL4053722 0.85 SLC18A3 (0.62) SLC18A3DRD2SIGMAR1CARM1PRMT6
Hydrochloric Acid SCHEMBL7259165 0.83 SIGMAR1 (0.75) SLC18A3DRD2SIGMAR1CARM1PRMT6
SCHEMBL7660501 0.82 DRD2 (0.58) SLC18A3DRD2SIGMAR1
SCHEMBL3399715 0.81 DRD2 (1.00) SLC18A3DRD2SIGMAR1CARM1PRMT6
SCHEMBL9369758 0.81 SLC18A3 (0.69) SLC18A3DRD2SIGMAR1CARM1PRMT6
SCHEMBL7398128 0.81 SLC18A3 (0.69) SLC18A3DRD2SIGMAR1CARM1PRMT6
SCHEMBL11027135 0.81 SLC18A3 (0.69) SLC18A3DRD2SIGMAR1CARM1PRMT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0537008-B1 Use of biphosphonates for the manufacture of a medicament for blocking neoplastic transformation of cells induced by ras oncogenes SQUIBB & SONS INC (US) 1995-10-25 EP claimed
US-5276150-A Vasodilators, anticoagulants, calcium channel blockers FUJIREBIO INC. (JP) 1994-01-04 US claimed
EP-0537008-A1 Use of biphosphonates for the manufacture of a medicament for blocking neoplastic transformation of cells induced by ras oncogenes E.R. SQUIBB & SONS, INC. (US) 1993-04-14 EP claimed
EP-0513760-A2 Use of biphosphonate squalene synthetase inhibitors in pharmaceutical compositions useful in lowering cholesterol E.R. SQUIBB & SONS, INC. (US) 1992-11-19 EP claimed
EP-0400660-A1 1,4-dihydropyridine derivatives FUJIREBIO INC. (JP) 1990-12-05 EP claimed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
CN-101068810-B Carbostyril compound OTSUKA PHARMA CO LTD 2011-02-09 CN disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO disclosed
EP-0537008-B1 Use of biphosphonates for the manufacture of a medicament for blocking neoplastic transformation of cells induced by ras oncogenes SQUIBB & SONS INC (US) 1995-10-25 EP disclosed
WO-1994022829-A2 DIHYDROPYRIDINES AND NEW USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1994-10-13 WO disclosed
US-5276150-A Vasodilators, anticoagulants, calcium channel blockers FUJIREBIO INC. (JP) 1994-01-04 US disclosed
EP-0537008-A1 Use of biphosphonates for the manufacture of a medicament for blocking neoplastic transformation of cells induced by ras oncogenes E.R. SQUIBB & SONS, INC. (US) 1993-04-14 EP disclosed
EP-0513760-A2 Use of biphosphonate squalene synthetase inhibitors in pharmaceutical compositions useful in lowering cholesterol E.R. SQUIBB & SONS, INC. (US) 1992-11-19 EP disclosed
EP-0400660-A1 1,4-dihydropyridine derivatives FUJIREBIO INC. (JP) 1990-12-05 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-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB SLC18A3 4867/4885DRD2 3182/4885SIGMAR1 2794/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 SLC18A3 4612/4885DRD2 947/4885SIGMAR1 2364/4885

“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.