SCHEMBL4053722

SCHEMBL4053722

[CH2]CN1CCC(c2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 6/20 0.62
DRD2 P14416 2/20 0.62
SIGMAR1 Q99720 4/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
CARM1 Q86X55 1/20 0.57
PRMT6 Q96LA8 1/20 0.57
TP53 P04637 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
TSHR P16473 1/20 0.56
CYP2C19 P33261 1/20 0.56
KCNA3 P22001 1/20 0.53
CCR5 P51681 1/20 0.51
DRD4 P21917 2/20 0.50
DRD3 P35462 1/20 0.49

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
SCHEMBL95814 0.85 SLC18A3 (0.69) SLC18A3DRD2SIGMAR1MEN1KMT2A
SCHEMBL3458641 0.82 SIGMAR1 (0.69) SLC18A3DRD2SIGMAR1MEN1KMT2A
SCHEMBL8575657 0.81 DRD2 (0.50) SLC18A3DRD2SIGMAR1DRD3
SCHEMBL2097765 0.80 SIGMAR1 (0.69) SLC18A3DRD2SIGMAR1MEN1KMT2A
SCHEMBL1003503 0.80 DRD2 (0.73) SLC18A3DRD2SIGMAR1MEN1KMT2A
SCHEMBL11684911 0.80 SLC18A3 (0.62) SLC18A3DRD2SIGMAR1MEN1KMT2A
SCHEMBL8967407 0.80 SLC18A3 (0.73) SLC18A3DRD2SIGMAR1MEN1KMT2A
SCHEMBL175904 0.79 SLC18A3 (0.57) SLC18A3DRD2SIGMAR1MEN1KMT2A
SCHEMBL9434095 0.79 SIGMAR1 (0.70) SLC18A3DRD2SIGMAR1MEN1KMT2A
SCHEMBL9557866 0.79 CYP11B2 (0.57) CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6048877-A Tetralone derivatives as antiarrhythmic agents BRISTOL-MYERS SQUIBB COMPANY (US) 2000-04-11 US claimed
US-5276150-A Vasodilators, anticoagulants, calcium channel blockers FUJIREBIO INC. (JP) 1994-01-04 US claimed
EP-0400660-A1 1,4-dihydropyridine derivatives FUJIREBIO INC. (JP) 1990-12-05 EP claimed
US-4104380-A Dibenzyl glycolic acid derivatives WARNER-LAMBERT COMPANY (US) 1978-08-01 US claimed
US-4076937-A Dibenzyl glycolic acid derivatives WARNER-LAMBERT COMPANY (US) 1978-02-28 US claimed
EP-1397137-B1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL MYERS SQUIBB CO (US) 2009-10-14 EP disclosed
US-7482372-B2 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-27 US disclosed
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-18 US disclosed
US-20050171096-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) SHEPPECK JAMES E (US) 2005-08-04 US disclosed
US-6906053-B2 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-06-14 US disclosed
US-6890915-B2 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-05-10 US disclosed
US-20040209874-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) SHEPPECK JAMES E (US) 2004-10-21 US disclosed
US-20030130273-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-07-10 US disclosed
WO-2002096426-A1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-12-05 WO disclosed
WO-1998008839-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED THIOPHENE LIBRARIES ELI LILLY AND COMPANY (US) 1998-03-05 WO disclosed
US-5688820-A NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS ADIR ET COMPAGNIE (FR) 1997-11-18 US disclosed
EP-0487408-B1 Oxazolopyridine derivatives, process for their preparation and pharmaceutical compositions comprising the same ADIR (FR) 1995-06-21 EP disclosed
US-5276150-A Vasodilators, anticoagulants, calcium channel blockers FUJIREBIO INC. (JP) 1994-01-04 US disclosed
EP-0487408-A1 Oxazolopyridine derivatives, process for their preparation and pharmaceutical compositions comprising the same ADIR ET COMPAGNIE (FR) 1992-05-27 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 (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-20040209874-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAM17, ADAMTS1, ADAM8 SLC18A3 2842/4885DRD2 4073/4885SIGMAR1 3783/4885
US-20050171096-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAM17, ADAMTS1, ADAM9 SLC18A3 2461/4885DRD2 4123/4885SIGMAR1 3232/4885
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug PLK4, PDXK, PLK2 SLC18A3 4810/4885DRD2 4618/4885SIGMAR1 3314/4885
US-20030130273-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAM17, ADAMTS1, ADAM8 SLC18A3 2842/4885DRD2 4073/4885SIGMAR1 3783/4885

“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.