SCHEMBL6663695

SCHEMBL6663695

COc1cc(CN)ccc1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.53
ATM Q13315 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CA2 P00918 1/20 0.44
CYP19A1 P11511 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.41
DHFR P00374 1/20 0.40
HTT P42858 1/20 0.40
AOC3 Q16853 1/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
LOX P28300 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
TSHR P16473 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38

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
SCHEMBL6493962 0.94 ATM (0.47) DRD2ATMKDM4ECA2CYP19A1
SCHEMBL9040112 0.92 DRD2 (0.44) DRD2ATMKDM4ECA2CYP19A1
SCHEMBL24541757 0.88 ATM (0.66) DRD2ATMKDM4ECA2CYP19A1
SCHEMBL3119147 0.84 DRD2 (0.56) DRD2ATMKDM4ECA2ALDH1A1
SCHEMBL29565908 0.83 DRD2 (0.55) DRD2ATMKDM4ECA2CYP19A1
SCHEMBL1635299 0.83 DRD2 (0.51) DRD2ATMKDM4ECA2CYP19A1
SCHEMBL21752810 0.83 DRD2 (0.38) DRD2ATMKDM4ELOXLOXL2
SCHEMBL6138549 0.82 DRD2 (0.54) DRD2ATMKDM4ECA2ALDH1A1
SCHEMBL30038388 0.81 DRD2 (0.50) DRD2ATMKDM4ECA2CYP19A1
Bromide SCHEMBL5608443 0.80 DRD2 (0.49) DRD2ATMKDM4ECA2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536174-B2 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2013-09-17 US disclosed
US-8536174-B2 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2013-09-17 US disclosed
US-20120214817-A1 UROTENSIN II RECEPTOR ANTAGONISTS MARYANOFF BRUCE E (US) 2012-08-23 US disclosed
US-8193191-B2 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2012-06-05 US disclosed
US-20110136824-A1 UROTENSIN II RECEPTOR ANTAGONISTS MARYANOFF BRUCE E 2011-06-09 US disclosed
US-7915260-B2 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2011-03-29 US disclosed
US-20070191391-A1 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-16 US disclosed
US-6818638-B2 LACTONE RING IS MODIFIED; PREVENTING OR TREATING DISORDERS MEDIATED BY LFA-1/ ICAM-1 INTERACTIONS. NOVARTIS AG (CH) 2004-11-16 US disclosed
EP-1154988-B1 MEVINOLIN DERIVATIVES NOVARTIS AG (CH) 2004-08-11 EP disclosed
US-20030087903-A1 Mevinolin derivatives NOVARTIS AG (CH) 2003-05-08 US disclosed
US-20020037895-A1 Mevinolin derivatives BAENTELI ROLF (CH) 2002-03-28 US disclosed
EP-1154988-A1 MEVINOLIN DERIVATIVES Novartis AG (CH) 2001-11-21 EP disclosed
WO-2000048989-A1 MEVINOLIN DERIVATIVES NOVARTIS AG (CH) 2000-08-24 WO 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 (5 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-20120214817-A1 UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, PLAUR, BDKRB2 DRD2 1354/4885ATM 4730/4885KDM4E 4555/4885
US-20070191391-A1 Urotensin II receptor antagonists UTS2R, PLAUR, BDKRB2 DRD2 1354/4885ATM 4730/4885KDM4E 4555/4885
US-20020037895-A1 Mevinolin derivatives ICAM1, VCAM1, EPCAM DRD2 3572/4885ATM 1224/4885KDM4E 2705/4885
US-20030087903-A1 Mevinolin derivatives ICAM1, VCAM1, EPCAM DRD2 3572/4885ATM 1224/4885KDM4E 2705/4885
US-20110136824-A1 UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, PLAUR, BDKRB2 DRD2 1354/4885ATM 4730/4885KDM4E 4555/4885

“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.