SCHEMBL7751844

SCHEMBL7751844

NNC(=O)c1cc(Cl)c(N)c2c1OCCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 5/20 0.50
HTR3A P46098 4/20 0.45
HTR2C P28335 2/20 0.45
HTR3E A5X5Y0 2/20 0.45
HTR3B O95264 2/20 0.45
HTR3D Q70Z44 2/20 0.45
HTR3C Q8WXA8 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
ADRA2C P18825 2/20 0.44
ADRA1A P35348 2/20 0.44
LMNA P02545 1/20 0.44
ADRA2A P08913 1/20 0.44
THRB P10828 1/20 0.44
HTR1D P28221 1/20 0.44
HTR2A P28223 1/20 0.44
HRH1 P35367 1/20 0.44
DRD3 P35462 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
SCHEMBL14810412 0.84 HTR4 (0.59) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL2944408 0.82 HTR4 (0.50) HTR4HTR3AHTR2CHTR3EHTR3B
SCHEMBL14810092 0.81 HTR4 (0.54) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL7353994 0.81 HTR4 (0.52) HTR4HTR3AHTR2CHTR3EHTR3B
SCHEMBL14810489 0.80 HTR4 (0.58) HTR4HTR3AHTR2CHTR3EHTR3B
SCHEMBL506271 0.77 HTR4 (0.57) HTR4HTR3A
SCHEMBL7749960 0.77 HTR4 (0.64) HTR4HTR3AHTR2CHTR3EHTR3B
Hydrochloric Acid SCHEMBL27347764 0.76 HTR4 (0.56) HTR4HTR3AHTR2CADRA2CADRA1A
SCHEMBL7433792 0.75 HTR4 (0.48) HTR4HTR3AHTR2CHTR3EHTR3B
Hydrochloric Acid SCHEMBL27351488 0.75 HTR4 (0.66) HTR4HTR3AHTR2CHTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9636335-B2 Heteroaryl compounds as 5-HT4 receptor ligands SUVEN LIFE SCIENCES LIMITED (IN) 2017-05-02 US disclosed
US-20150283125-A1 HETEROARYL COMPOUNDS AS 5-HT4 RECEPTOR LIGANDS SUVEN LIFE SCIENCES LTD (IN) 2015-10-08 US disclosed
US-9079894-B2 Heteroaryl compounds as 5-HT4 receptor ligands SUVEN LIFE SCIENCES LTD (IN) 2015-07-14 US disclosed
EP-2758394-B1 HETEROARYL COMPOUNDS AS 5-HT4 RECEPTOR LIGANDS SUVEN LIFE SCIENCES LTD (IN) 2015-02-18 EP disclosed
EP-2758394-A1 HETEROARYL COMPOUNDS AS 5-HT4 RECEPTOR LIGANDS Suven Life Sciences Limited (IN) 2014-07-30 EP disclosed
US-20140187581-A1 HETEROARYL COMPOUNDS AS 5-HT4 RECEPTOR LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2014-07-03 US disclosed
WO-2013042135-A1 HETEROARYL COMPOUNDS AS 5-HT4 RECEPTOR LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2013-03-28 WO disclosed
US-6248757-B1 ANTISEROTONINE AGENTS SANOFI-SYNTHELABO (FR) 2001-06-19 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-20150283125-A1 HETEROARYL COMPOUNDS AS 5-HT4 RECEPTOR LIGANDS HTR4, HTR5A, HTR2C HTR4 1/4885HTR3A 6/4885HTR2C 3/4885
US-20140187581-A1 HETEROARYL COMPOUNDS AS 5-HT4 RECEPTOR LIGANDS HTR4, HTR5A, HTR2C HTR4 1/4885HTR3A 6/4885HTR2C 3/4885

“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.