SCHEMBL3396522

SCHEMBL3396522

NC(=O)Cc1ccc(F)c(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.56
ICMT O60725 4/20 0.49
IDO1 P14902 1/20 0.47
CA2 P00918 2/20 0.47
EPHB4 P54760 1/20 0.45
RPA1 P27694 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
TSHR P16473 1/20 0.42

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
Hydrochloric Acid SCHEMBL5408486 0.98 PIK3CA (0.55) PIK3CAICMTIDO1CA2EPHB4
SCHEMBL3992493 0.86 ICMT (0.58) PIK3CAICMTCA2EPHB4RPA1
SCHEMBL2791406 0.86 PIK3CA (0.54) PIK3CAICMTIDO1CA2RPA1
SCHEMBL3397980 0.85 CA2 (0.47) PIK3CAICMTCA2
SCHEMBL869116 0.83 CA2 (0.65) PIK3CACA2RPA1HDAC3HDAC1
SCHEMBL21090110 0.83 PIK3CA (0.58) PIK3CAICMTIDO1CA2RPA1
SCHEMBL1029174 0.82 SLC6A4 (0.54) PIK3CAIDO1CA2TSHR
SCHEMBL1115081 0.82 CA2 (0.52) CA2
SCHEMBL29718749 0.82 CA2 (0.52) CA2
SCHEMBL15517814 0.82 PIK3CA (0.47) PIK3CAICMTIDO1RPA1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053985-A1 NOVEL PIPERIDINE-4-CARBOXYLIC ACID PHENYL-ALKYL-AMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2011-03-03 US claimed
EP-2245011-A1 NOVEL PIPERIDINE-4-CARBOXYLIC ACID PHENYL-ALKYL-AMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2010-11-03 EP claimed
WO-2009090173-A1 NOVEL PIPERIDINE-4-CARBOXYLIC ACID PHENYL-ALKYL-AMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2009-07-23 WO claimed
US-20070135414-A1 Tachykinin Antagonists ALVARO GUISEPPE 2007-06-14 US claimed
EP-1377560-B1 PIPERAZINE DERIVATIVES AS TACHYKININ ANTAGONISTS GLAXO GROUP LTD (GB) 2005-09-21 EP claimed
EP-1377558-B1 [1,4]-DIAZEPANE-1-CARBOXYLIC ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS GLAXO GROUP LTD (GB) 2005-08-17 EP claimed
US-20040157858-A1 Piperazine derivatives as tachykinin antagonists GLAXO GROUP LIMITED (GB) 2004-08-12 US claimed
US-20040127485-A1 1,4! - diazepane -1- carboxylic acid derivatives process for their preparation and their use as tachykinin antagonists GLAXO GROUP LIMITED (GB) 2004-07-01 US claimed
EP-1377560-A1 PIPERAZINE DERIVATIVES AS TACHYKININ ANTAGONISTS GLAXO GROUP LIMITED (GB) 2004-01-07 EP claimed
EP-1377558-A1 [1,4]-DIAZEPANE-1-CARBOXYLIC ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS GLAXO GROUP LIMITED (GB) 2004-01-07 EP claimed
WO-2002081461-A1 PIPERAZINE DERIVATIVES AS TACHYKININ ANTAGONISTS GLAXO GROUP LIMITED (GB) 2002-10-17 WO claimed
WO-2002081457-A1 `1,4!-DIAZEPANE-1-CARBOXYLIC ACID DERIVATIVES PROCESS FOR THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS GLAXO GROUP LIMITED (GB) 2002-10-17 WO claimed
US-20180021327-A1 TREATMENT OF CORNEAL NEOVASCULARIZATION IRBM SCIENCE PARK S.P.A. (IT) 2018-01-25 US disclosed
US-9782397-B2 Treatment of corneal neovascularization IRBM SCIENCE PARK S.P.A. (IT) 2017-10-10 US disclosed
EP-2729147-B1 NK-1 RECEPTOR ANTAGONISTS FOR TREATING CORNEAL NEOVASCULARISATION IRBM - SCIENCE PARK S P A (IT) 2017-09-06 EP disclosed
EP-2729147-A1 NK-1 RECEPTOR ANTAGONISTS FOR TREATING CORNEAL NEOVASCULARISATION Ferrari, Giulio (IT) 2014-05-14 EP disclosed
EP-1377558-A1 [1,4]-DIAZEPANE-1-CARBOXYLIC ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS GLAXO GROUP LIMITED (GB) 2004-01-07 EP disclosed
WO-2003015784-A1 2-SUBSTITUTED 1-ARYLPIPERAZINES AS TACHYKININ ANTAGONISTS AND/OR SEROTONIN REUPTAKE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-02-27 WO disclosed
WO-2002081461-A1 PIPERAZINE DERIVATIVES AS TACHYKININ ANTAGONISTS GLAXO GROUP LIMITED (GB) 2002-10-17 WO disclosed
WO-2002081457-A1 `1,4!-DIAZEPANE-1-CARBOXYLIC ACID DERIVATIVES PROCESS FOR THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS GLAXO GROUP LIMITED (GB) 2002-10-17 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-20110053985-A1 NOVEL PIPERIDINE-4-CARBOXYLIC ACID PHENYL-ALKYL-AMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 PIK3CA 1367/4885ICMT 1704/4885IDO1 392/4885
US-20040157858-A1 Piperazine derivatives as tachykinin antagonists NPSR1, SSTR2, PROKR1 PIK3CA 3570/4885ICMT 2980/4885IDO1 759/4885
US-20040127485-A1 1,4! - diazepane -1- carboxylic acid derivatives process for their preparation and their use as tachykinin antagonists NPY1R, CRHR1, GRIN1 PIK3CA 4265/4885ICMT 3212/4885IDO1 614/4885
US-20070135414-A1 Tachykinin Antagonists NPSR1, TACR2, NPY4R PIK3CA 4516/4885ICMT 3749/4885IDO1 1075/4885
US-20180021327-A1 TREATMENT OF CORNEAL NEOVASCULARIZATION KDR, BAK1, FLT1 PIK3CA 631/4885ICMT 3652/4885IDO1 498/4885

“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.