SCHEMBL5385340

SCHEMBL5385340

CC(C(N)=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.57
EPHX1 P07099 3/20 0.44
TPMT P51580 1/20 0.38
GRN P28799 2/20 0.37
SORT1 Q99523 2/20 0.37
TRPM8 Q7Z2W7 2/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
CXCL8 P10145 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ADRA1D P25100 1/20 0.35
TSHR P16473 1/20 0.35

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 SCHEMBL5394547 0.98 APP (0.55) APPEPHX1TPMTGRNSORT1
SCHEMBL2055566 0.80 TRPM8 (0.52) APPTRPM8ADRA1D
SCHEMBL2111868 0.80 APP (0.56) APPTPMTGRNSORT1CXCL8
SCHEMBL28510114 0.79 TPMT (0.42) APPEPHX1TPMTHTR3EHTR3B
SCHEMBL16150316 0.79 HSD17B10 (0.50) APPEPHX1CXCL8GABRA1GABRB1
SCHEMBL607803 0.78 EPHX1 (0.58) APPEPHX1TSHR
SCHEMBL7794207 0.78 EPHX1 (0.58) APPEPHX1TSHR
SCHEMBL607802 0.78 EPHX1 (0.58) APPEPHX1TSHR
SCHEMBL27964908 0.76 EPHX1 (0.46) APPEPHX1TPMTALDH1A1TSHR
SCHEMBL4476170 0.74 APP (0.38) APPEPHX1TPMTHTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7214680-B2 2-substituted 1-arylpiperazines as tachykinin antagonists and/or serotonin reuptake inhibitors GLAXO GROUP LIMITED (GB) 2007-05-08 US claimed
EP-1423117-B1 2-SUBSTITUTED 1-ARYLPIPERAZINES AS TACHYKININ ANTAGONISTS AND/OR SEROTONIN REUPTAKE INHIBITORS GLAXO GROUP LTD (GB) 2005-10-19 EP claimed
US-20040242592-A1 2-Substituted 1-arylpiperazines as tachykinin antagonists and/or serotonin reuptake inhibitors GLAXO GROUP LIMITED (GB) 2004-12-02 US claimed
US-20180021327-A1 TREATMENT OF CORNEAL NEOVASCULARIZATION IRBM SCIENCE PARK S.P.A. (IT) 2018-01-25 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
WO-2013004766-A1 NK-1 RECEPTOR ANTAGONISTS FOR TREATING CORNEAL NEOVASCULARISATION FERRARI GIULIO (IT) 2013-01-10 WO disclosed
US-7214680-B2 2-substituted 1-arylpiperazines as tachykinin antagonists and/or serotonin reuptake inhibitors GLAXO GROUP LIMITED (GB) 2007-05-08 US disclosed
EP-1423117-B1 2-SUBSTITUTED 1-ARYLPIPERAZINES AS TACHYKININ ANTAGONISTS AND/OR SEROTONIN REUPTAKE INHIBITORS GLAXO GROUP LTD (GB) 2005-10-19 EP disclosed
US-20040242592-A1 2-Substituted 1-arylpiperazines as tachykinin antagonists and/or serotonin reuptake inhibitors GLAXO GROUP LIMITED (GB) 2004-12-02 US 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 (2 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-20040242592-A1 2-Substituted 1-arylpiperazines as tachykinin antagonists and/or serotonin reuptake inhibitors SLC6A4, TPH1, HTR1D APP 1349/4885EPHX1 4178/4885TPMT 794/4885
US-20180021327-A1 TREATMENT OF CORNEAL NEOVASCULARIZATION KDR, BAK1, FLT1 APP 4258/4885EPHX1 2215/4885TPMT 4775/4885

“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.