SCHEMBL1471995

SCHEMBL1471995

O=C1C=C(c2ccc(F)cc2)C(=O)O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PTGS1 P23219 2/20 0.38
PGR P06401 1/20 0.38
GABRP O00591 3/20 0.37
GABRD O14764 3/20 0.37
GABRA1 P14867 3/20 0.37
GABRB1 P18505 3/20 0.37
GABRG2 P18507 3/20 0.37
GABRB3 P28472 3/20 0.37
GABRA5 P31644 3/20 0.37
GABRA3 P34903 3/20 0.37
GABRA2 P47869 3/20 0.37
GABRB2 P47870 3/20 0.37
GABRA4 P48169 3/20 0.37
GABRE P78334 3/20 0.37
GABRA6 Q16445 3/20 0.37
GABRG1 Q8N1C3 3/20 0.37
GABRG3 Q99928 3/20 0.37
GABRQ Q9UN88 3/20 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
SCHEMBL1473646 0.80 PTPRC (0.46) MEN1KMT2ATNKSTNKS2GAA
SCHEMBL9467973 0.80 HSD17B3 (0.50) PGRLMNAMAPT
Benzene SCHEMBL28277789 0.79 BACE1 (0.50) MEN1KMT2ALMNAGAAMAPT
SCHEMBL210321 0.79 BACE1 (0.50) MEN1KMT2ALMNAGAAMAPT
Benzene SCHEMBL28133344 0.79 BACE1 (0.50) MEN1KMT2ALMNAGAAMAPT
SCHEMBL27887221 0.78 BACE1 (0.47) MEN1KMT2ALMNAGAANPC1
SCHEMBL659512 0.78 CYP1A2 (0.41) NOTUMHSP90AA1TNKSLMNAGAA
SCHEMBL2687978 0.78 MAOB (0.41) PTGS1NOTUMTNKSPARP1TNKS2
SCHEMBL1013615 0.78 BACE1 (0.58) PGRNOTUMTNKSTNKS2AR
SCHEMBL1471090 0.78 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422296-B2 Fast-dissociating dopamine 2 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2016-08-23 US disclosed
US-20140336381-A1 FAST-DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2014-11-13 US disclosed
US-8791120-B2 Fast-dissociating dopamine 2 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2014-07-29 US disclosed
CN-101605764-B Fast dissociating dopamine 2 receptor antagonists JANSSEN PHARMACEUTICA NV 2013-06-19 CN disclosed
EP-2121630-B1 FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2012-08-01 EP disclosed
US-7915304-B2 Phenyl substituted maleimides as medicaments for blocking degenerative tissue damages by inhibiting MPT CONGENIA S.R.L. (IT) 2011-03-29 US disclosed
EP-2091531-B1 PHENYL SUBSTITUTED MALEIMIDES AS MEDICAMENTS FOR BLOCKING DEGENERATIVE TISSUE DAMAGES BY INHIBITING MPT CONGENIA S R L (IT) 2010-11-24 EP disclosed
US-20100099736-A1 PHENYL SUBSTITUTED MALEIMIDES AS MEDICAMENTS FOR BLOCKING DEGENERATIVE TISSUE DAMAGES BY INHIBITING MPT CONGENIA S.R.L. (IT) 2010-04-22 US disclosed
US-20100069394-A1 FAST-DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, NV (BE) 2010-03-18 US disclosed
CN-101605764-A Fast dissociating dopamine 2 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2009-12-16 CN disclosed
EP-2121630-A1 FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2009-11-25 EP disclosed
EP-2091531-A2 PHENYL SUBSTITUTED MALEIMIDES AS MEDICAMENTS FOR BLOCKING DEGENERATIVE TISSUE DAMAGES BY INHIBITING MPT Congenia S.r.l. (IT) 2009-08-26 EP disclosed
WO-2008098892-A1 FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-21 WO disclosed
WO-2008067863-A2 PHENYL SUBSTITUTED MALEIMIDES AS MEDICAMENTS FOR BLOCKING DEGENERATIVE TISSUE DAMAGES BY INHIBITING MPT CONGENIA S.R.L. (IT) 2008-06-12 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 (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-20100099736-A1 PHENYL SUBSTITUTED MALEIMIDES AS MEDICAMENTS FOR BLOCKING DEGENERATIVE TISSUE DAMAGES BY INHIBITING MPT CYC1, MTPN, TXN2 MEN1 1535/4885KMT2A 4798/4885PTGS1 198/4885
US-20140336381-A1 FAST-DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS DRD2, GRIN2C, GRIN2A MEN1 4869/4885KMT2A 1100/4885PTGS1 2985/4885
US-20100069394-A1 FAST-DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS DRD2, GRIN2C, GRIN2A MEN1 4869/4885KMT2A 1100/4885PTGS1 2985/4885

“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.