SCHEMBL6080280

SCHEMBL6080280

Nc1cc(C(F)(F)F)ccc1OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 6/20 0.57
HTR2C P28335 1/20 0.56
SLC6A4 P31645 1/20 0.56
HTR2B P41595 1/20 0.56
RXRA P19793 2/20 0.51
RXRB P28702 2/20 0.51
RXRG P48443 2/20 0.51
L3MBTL1 Q9Y468 3/20 0.50
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
ATM Q13315 1/20 0.50
MAOB P27338 2/20 0.49
PTGER1 P34995 1/20 0.48
LRRK2 Q5S007 3/20 0.48
NPSR1 Q6W5P4 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL3918382 0.88 HTR2C (0.56) MRGPRX4HTR2CSLC6A4HTR2BRXRA
SCHEMBL7013898 0.86 L3MBTL1 (0.67) MRGPRX4HTR2CSLC6A4HTR2BL3MBTL1
SCHEMBL1331639 0.83 HTR2C (0.58) MRGPRX4HTR2CSLC6A4HTR2BRXRA
SCHEMBL18703359 0.83 MRGPRX4 (0.61) MRGPRX4HTR2CSLC6A4HTR2BRXRA
SCHEMBL6216861 0.82 HTR2C (0.54) MRGPRX4HTR2CSLC6A4HTR2BRXRA
SCHEMBL1332170 0.81 SLC6A4 (0.56) MRGPRX4HTR2CSLC6A4HTR2BRXRA
SCHEMBL30427926 0.81 MRGPRX4 (0.72) MRGPRX4
SCHEMBL5730837 0.81 HTR2C (0.60) MRGPRX4HTR2CSLC6A4HTR2BRXRA
SCHEMBL30821972 0.81 SLC6A4 (0.56) MRGPRX4HTR2CSLC6A4HTR2BRXRA
SCHEMBL4150404 0.81 HTR2C (0.56) MRGPRX4HTR2CSLC6A4HTR2BRXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9540323-B2 7-hydroxy-indolinyl antagonists of P2Y1 receptor BRISTOL-MYERS SQUIBB COMPANY (US) 2017-01-10 US disclosed
US-9428504-B2 7-hydroxy-spiropipiperidine indolinyl antagonists of P2Y1 receptor BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-30 US disclosed
EP-2892898-B1 7-HYDROXY-SPIROPIPIPERIDINE INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR BRISTOL MYERS SQUIBB CO (US) 2016-05-25 EP disclosed
US-20150259286-A1 7-HYDROXY-INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR BRISTOL-MYERS SQUIBB COMPANY 2015-09-17 US disclosed
EP-2892894-A1 7-HYDROXY-INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR Bristol-Myers Squibb Company (US) 2015-07-15 EP disclosed
EP-2892898-A1 7-HYDROXY-SPIROPIPIPERIDINE INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR Bristol-Myers Squibb Company (US) 2015-07-15 EP disclosed
US-20150166538-A1 7-HYDROXY-SPIROPIPIPERIDINE INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR BRISTOL-MYERS SQUIBB COMPANY 2015-06-18 US disclosed
WO-2014022349-A1 7-HYDROXY-SPIROPIPIPERIDINE INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR BRISTOL-MYERS SQUIBB COMPANY (US) 2014-02-06 WO disclosed
WO-2014022343-A1 7-HYDROXY-INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR BRISTOL-MYERS SQUIBB COMPANY (US) 2014-02-06 WO disclosed
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US disclosed
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP disclosed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 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-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NQO1, NQO2, RECQL MRGPRX4 238/4885HTR2C 1494/4885SLC6A4 1611/4885
US-20150259286-A1 7-HYDROXY-INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR P2RY1, P2RY11, P2RY2 MRGPRX4 149/4885HTR2C 38/4885SLC6A4 415/4885
US-20150166538-A1 7-HYDROXY-SPIROPIPIPERIDINE INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR P2RY1, P2RY2, P2RY11 MRGPRX4 676/4885HTR2C 40/4885SLC6A4 784/4885

“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.