SCHEMBL6766529

SCHEMBL6766529

O=[N+]([O-])c1cnc2c(c1)CN(Cc1ccccc1)CC2

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 4/20 0.53
MAPT P10636 3/20 0.53
NPBWR1 P48145 1/20 0.53
MCHR1 Q99705 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
DHFR P00374 1/20 0.48
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 1/20 0.43
STARD3 Q14849 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
SCHEMBL28342305 0.88 TDP1 (0.42) RAB9AMEN1KMT2ANPC1ALDH1A1
Hydrochloric Acid SCHEMBL20492781 0.87 ALDH1A1 (0.43) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL6291722 0.81 GRIN2B (0.55) RAB9AMEN1KMT2AALDH1A1MAPT
SCHEMBL6296037 0.81 DRD4 (0.54) RAB9AALDH1A1MAPTPKMMAPK1
SCHEMBL20492672 0.81 MEN1 (0.48) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL21063758 0.81 ALDH1A1 (0.46) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL6771430 0.81 ALDH1A1 (0.42) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL20492552 0.80 DRD2 (0.42) RAB9AMEN1KMT2ANPC1ALDH1A1
Hydrochloric Acid SCHEMBL8186681 0.80 GRIN2B (0.54) RAB9AALDH1A1MAPTNPBWR1MCHR1
SCHEMBL28169331 0.79 MEN1 (0.61) RAB9AMEN1KMT2ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786305-B2 Tetrahydropyranyl cyclopentyl tetrahydropyridopyridine modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. (US) 2010-08-31 US disclosed
US-7786305-B2 Tetrahydropyranyl cyclopentyl tetrahydropyridopyridine modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. (US) 2010-08-31 US disclosed
US-7230008-B2 Tetrahydropyranyl cyclopentyl tetrahydropyridopyridine modulators of chemokine receptor activity MERCK & CO, INC. (US) 2007-06-12 US disclosed
US-7230008-B2 Tetrahydropyranyl cyclopentyl tetrahydropyridopyridine modulators of chemokine receptor activity MERCK & CO, INC. (US) 2007-06-12 US disclosed
US-6777426-B2 SELECTIVE AGONISTS FOR HUMAN ALPHA 2 ADRENERGIC RECEPTORS; TREATING PAIN, MIGRAINE, HEADACHES, GLAUCOMA; 2-(INDAN-5-YL)AMINO-2-IMIDAZOLINE FOR EXAMPLE SYNAPTIC PHARMACEUTICAL CORPORATION 2004-08-17 US disclosed
US-20020019390-A1 Imidazole and imidazoline derivatives and uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2002-02-14 US disclosed
US-6294566-B1 ENANTIOMORPHS REVERSE AND ADRENERGIC AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-09-25 US disclosed
US-6245778-B1 1,6-naphthyridine anti-convulsants SMITHKLINE BEECHAM P.L.C. (GB) 2001-06-12 US disclosed
US-6093727-A A SELECTIVE AGONISTS FOR HUMAN ALPHA 2 RECEPTORS FOR TREATING DISORDERS AS HYPERTENSION, PAIN, GLAUCOMA, ALCOHOL AND DRUG WITHDRAWAL, ISCHEMIA, RHEUMATOID ARTHRITIS, MIGRAINE, COGNITIVE DEFICIENCY, SPASTICITY, DIARRHEA, NASAL CONGESTION SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-07-25 US disclosed
EP-1017694-A2 N-5,6,7,8-TETRAHYDRO(1,6)NAPHTHYRIDINE-N'-PHENYLUREA DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2000-07-12 EP disclosed
EP-0986559-A1 1,6-NAPHTHYRIDINE ANTI-CONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2000-03-22 EP disclosed
WO-1999015526-A2 N-5,6,7,8-TETRAHYDRO(1,6)NAPHTHYRIDINE-N'-PHENYLUREA DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1999-04-01 WO disclosed
US-5866579-A SELECTIVE AGONISTS FOR CLONED HUMAN ALPHA-2 ADRENERGIC RECEPTORS. SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1999-02-02 US disclosed
WO-1998054184-A1 1,6-NAPHTHYRIDINE ANTI-CONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1998-12-03 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 (1 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-20020019390-A1 Imidazole and imidazoline derivatives and uses thereof ADRB2, ADRA2C, ADRB3 RAB9A 2112/4885MEN1 3146/4885KMT2A 2712/4885

“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.