SCHEMBL4425962

SCHEMBL4425962

O=C(CCl)N1CCCc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
DRD2 P14416 1/20 0.55
ATM Q13315 2/20 0.48
ALDH1A1 P00352 2/20 0.45
DRD4 P21917 1/20 0.45
GAA P10253 2/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
RECQL P46063 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PDE4B Q07343 2/20 0.43
PDE4D Q08499 1/20 0.43

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
SCHEMBL29876823 1.00 MAPT (0.57) MAPTSMN1; SMN2DRD2ATMALDH1A1
SCHEMBL21712168 0.92 DRD2 (0.64) MAPTSMN1; SMN2DRD2ALDH1A1DRD4
SCHEMBL30912017 0.92 DRD2 (0.64) MAPTSMN1; SMN2DRD2ALDH1A1DRD4
SCHEMBL4426865 0.85 MAPT (0.55) MAPTSMN1; SMN2DRD2ATMALDH1A1
SCHEMBL4428863 0.84 MAPT (0.54) MAPTSMN1; SMN2DRD2ATMALDH1A1
SCHEMBL11962995 0.84 MAPT (0.52) MAPTSMN1; SMN2DRD2ATMALDH1A1
SCHEMBL3585115 0.83 NOTUM (0.56) MAPTSMN1; SMN2DRD2ATMALDH1A1
SCHEMBL30575716 0.83 NOTUM (0.56) MAPTSMN1; SMN2DRD2ATMALDH1A1
SCHEMBL2448094 0.82 DRD2 (0.64) MAPTSMN1; SMN2DRD2ATMALDH1A1
SCHEMBL6966940 0.82 DRD2 (0.61) MAPTSMN1; SMN2DRD2ALDH1A1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2791116-B1 COUPLER WITH 7-AMINO-1,2,3,4-TETRAHYDROQUINOLINE STRUCTURE, DYEING COMPOSITION COMPRISING SAME, PROCESSES AND USES OREAL (FR) 2018-05-16 EP disclosed
EP-2791116-B1 COUPLER WITH 7-AMINO-1,2,3,4-TETRAHYDROQUINOLINE STRUCTURE, DYEING COMPOSITION COMPRISING SAME, PROCESSES AND USES OREAL (FR) 2018-05-16 EP disclosed
CN-103987694-B Colour coupler with the tetrahydroquinoline structure of 7 amino 1,2,3,4, the colouring compositions comprising them, method and purposes 莱雅公司 2017-10-13 CN disclosed
US-9233060-B2 Coupler with 7-amino-1,2,3,4-tetrahydroquinoline structure, dyeing composition comprising same, processes and uses L'OREAL (FR) 2016-01-12 US disclosed
US-9233060-B2 Coupler with 7-amino-1,2,3,4-tetrahydroquinoline structure, dyeing composition comprising same, processes and uses L'OREAL (FR) 2016-01-12 US disclosed
US-9233060-B2 Coupler with 7-amino-1,2,3,4-tetrahydroquinoline structure, dyeing composition comprising same, processes and uses L'OREAL (FR) 2016-01-12 US disclosed
US-9107848-B2 Coupler with cationic 7-amino-1,2,3,4-tetrahydroquinoline structure, dyeing composition comprising same, processes and uses L'OREAL (FR) 2015-08-18 US disclosed
US-9107848-B2 Coupler with cationic 7-amino-1,2,3,4-tetrahydroquinoline structure, dyeing composition comprising same, processes and uses L'OREAL (FR) 2015-08-18 US disclosed
US-9107848-B2 Coupler with cationic 7-amino-1,2,3,4-tetrahydroquinoline structure, dyeing composition comprising same, processes and uses L'OREAL (FR) 2015-08-18 US disclosed
US-20150000691-A1 COUPLER WITH 7-AMINO-1,2,3,4-TETRAHYDROQUINOLINE STRUCTURE, DYEING COMPOSITION COMPRISING SAME, PROCESSES AND USES L'OREAL (FR) 2015-01-01 US disclosed
WO-2011110627-A1 NEW CATIONIC 7-AMINO-1,2,3,4- TETRAHYDROQUINOLINES, DEYING COMPOSITION COMPRISING A CATIONIC 7-AMINO-1,2,3,4-TETRAHYDROQUINOLINE, METHOD AND USES. L'OREAL (FR) 2011-09-15 WO disclosed
US-7538121-B2 Vanilloid receptor modulators GLAXO GROUP LIMITED (GB) 2009-05-26 US disclosed
EP-2033953-A1 Vanilloid receptor modulators Glaxo Group Limited (GB) 2009-03-11 EP disclosed
US-20070105865-A1 Substituted bicyclic quinazolin-4-ylamine derivatives NEUROGEN CORPORATION (US) 2007-05-10 US disclosed
US-20070105865-A1 Substituted bicyclic quinazolin-4-ylamine derivatives NEUROGEN CORPORATION (US) 2007-05-10 US disclosed
US-20070105865-A1 Substituted bicyclic quinazolin-4-ylamine derivatives NEUROGEN CORPORATION (US) 2007-05-10 US disclosed
US-20060142333-A1 Vanilloid receptor modulators MACDONALD GREGOR J 2006-06-29 US disclosed
EP-1480954-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2004-12-01 EP disclosed
WO-2003068749-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2003-08-21 WO disclosed
WO-1998047868-A1 HETEROCYCLE-CONTAINING UREA DERIVATIVES AS 5HT1A, 5HT1B AND 5HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1998-10-29 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-20070105865-A1 Substituted bicyclic quinazolin-4-ylamine derivatives PIGS, HRH4, GPR35 MAPT 3433/4885SMN1; SMN2 2933/4885DRD2 724/4885
US-20060142333-A1 Vanilloid receptor modulators TRPV1, NPSR1, TRPV3 MAPT 4119/4885SMN1; SMN2 3167/4885DRD2 560/4885
US-20150000691-A1 COUPLER WITH 7-AMINO-1,2,3,4-TETRAHYDROQUINOLINE STRUCTURE, DYEING COMPOSITION COMPRISING SAME, PROCESSES AND USES KRT18, COL1A1, PYCR1 MAPT 1141/4885SMN1; SMN2 4666/4885DRD2 1607/4885

“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.