SCHEMBL5406572

SCHEMBL5406572

CNCc1ccc(F)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.53
KCNH2 Q12809 8/20 0.53
HTR2A P28223 7/20 0.53
SLC6A2 P23975 6/20 0.47
SLC6A3 Q01959 5/20 0.47
CNR2 P34972 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
HTR1A P08908 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
HTR2C P28335 1/20 0.44
HTR1E P28566 1/20 0.44
HTR7 P34969 1/20 0.44
HTR2B P41595 1/20 0.44

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 SCHEMBL5396979 0.98 SLC6A4 (0.51) SLC6A4KCNH2HTR2ASLC6A2SLC6A3
SCHEMBL4413991 0.85 HTR2A (0.46) SLC6A4KCNH2HTR2ASLC6A2SLC6A3
SCHEMBL6418359 0.84 SLC6A4 (0.48) SLC6A4KCNH2HTR2ASLC6A2SLC6A3
SCHEMBL30139650 0.81 SLC6A4 (0.67) SLC6A4KCNH2HTR2ASLC6A2SLC6A3
SCHEMBL30139651 0.81 SLC6A4 (0.67) SLC6A4KCNH2HTR2ASLC6A2SLC6A3
SCHEMBL298380 0.81 SLC6A4 (0.67) SLC6A4KCNH2HTR2ASLC6A2SLC6A3
SCHEMBL1585868 0.81 KDM1A (0.44) SLC6A4SLC6A2SLC6A3MAPTHTR7
SCHEMBL14376844 0.81 HTR2A (0.47) SLC6A4KCNH2HTR2ACNR2HDAC3
SCHEMBL8223779 0.80 HDAC3 (0.46) CNR2HDAC3HDAC1HDAC2HDAC6
SCHEMBL6077239 0.79 MEN1 (0.48) SLC6A4KCNH2HTR2ACNR2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20140128395-A1 Novel Method IRBM SCIENCE PARK S.P.A. (IT) 2014-05-08 US 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
US-20030027847-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-02-06 US disclosed
WO-2002081461-A1 PIPERAZINE DERIVATIVES AS TACHYKININ ANTAGONISTS GLAXO GROUP LIMITED (GB) 2002-10-17 WO disclosed
WO-2001096283-A9 HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 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
WO-2001096283-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-12-20 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 (6 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-20040157858-A1 Piperazine derivatives as tachykinin antagonists NPSR1, SSTR2, PROKR1 SLC6A4 269/4885KCNH2 37/4885HTR2A 97/4885
US-20040127485-A1 1,4! - diazepane -1- carboxylic acid derivatives process for their preparation and their use as tachykinin antagonists NPY1R, CRHR1, GRIN1 SLC6A4 284/4885KCNH2 194/4885HTR2A 232/4885
US-20070135414-A1 Tachykinin Antagonists NPSR1, TACR2, NPY4R SLC6A4 174/4885KCNH2 173/4885HTR2A 223/4885
US-20140128395-A1 Novel Method BAK1, VIPR1, BDKRB1 SLC6A4 3167/4885KCNH2 47/4885HTR2A 2550/4885
US-20030027847-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 SLC6A4 3867/4885KCNH2 880/4885HTR2A 3482/4885
US-20180021327-A1 TREATMENT OF CORNEAL NEOVASCULARIZATION KDR, BAK1, FLT1 SLC6A4 3373/4885KCNH2 72/4885HTR2A 3228/4885

“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.