SCHEMBL742887

SCHEMBL742887

C=CC(c1c[nH]c2ccccc12)N1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.42
FFAR1 O14842 2/20 0.42
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 3/20 0.40
HTR2C P28335 3/20 0.39
ADRB2 P07550 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2B P41595 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SLC6A4 P31645 1/20 0.38
CYP2D6 P10635 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
ALOX15 P16050 2/20 0.37
TP53 P04637 1/20 0.37
ALOX12 P18054 1/20 0.37

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
SCHEMBL11577771 0.87 LMNA (0.44) GPR84FFAR1ALDH1A1L3MBTL1MAPT
SCHEMBL4797771 0.83 GPR84 (0.39) GPR84FFAR1ALDH1A1L3MBTL1MAPT
SCHEMBL3380819 0.81 KDM4E (0.54) ALDH1A1HTR2CADRB2KMT2ASLC6A4
SCHEMBL6977811 0.78 GPR84 (0.53) GPR84FFAR1ALDH1A1L3MBTL1MAPT
SCHEMBL28435635 0.78 HTR2C (0.45) GPR84FFAR1ALDH1A1L3MBTL1MAPT
SCHEMBL9275829 0.77 HTR2A (0.46) ALDH1A1HTR2CHTR2AMEN1KMT2A
SCHEMBL11577773 0.75 GPR84 (0.39) GPR84FFAR1ALDH1A1L3MBTL1MAPT
SCHEMBL8798218 0.74 FLT3 (0.40) ALDH1A1MAPTHTR2CHTR2AHTR2B
SCHEMBL740828 0.73 HTR2C (0.50) GPR84FFAR1ALDH1A1MAPTHTR2C
SCHEMBL7368104 0.72 MEN1 (0.59) MEN1KMT2ASLC6A4CYP2D6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138174-B2 Such as N-{1-[7-(2-amino-ethoxyimino)-7-[4-(trifluoromethyl)phenyl]heptylamino]-1-[3-(4-chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-methylidene)-4-chloro-benzenesulfonamide; pain. psychosis, anxiety, depression, attention deficits, cognitive disorders, obesity; neurodegenerative disorders SOLVAY PHARMACEUTICALS B.V. (NL) 2012-03-20 US disclosed
US-7622486-B2 Pyridine compounds, process for their preparation and compositions containing them REDDY US THERAPEUTICS, INC. (US) 2009-11-24 US disclosed
EP-2111394-A1 COMPOUNDS WITH A COMBINATION OF CANNABINOID-CB1 ANTAGONISM AND SEROTONIN REUPTAKE INHIBITION Solvay Pharmaceuticals B.V. (NL) 2009-10-28 EP disclosed
US-20080214559-A1 COMPOUNDS WITH A COMBINATION OF CANNABINOID CB1 ANTAGONISM AND SEROTONIN REUPTAKE INHIBITION SOLVAY PHARMACEUTICALS B.V. 2008-09-04 US disclosed
WO-2008084057-A1 COMPOUNDS WITH A COMBINATION OF CANNABINOID-CB1 ANTAGONISM AND SEROTONIN REUPTAKE INHIBITION SOLVAY PHARMACEUTICALS B.V. (NL) 2008-07-17 WO disclosed
US-20060084644-A1 Novel pyridine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-04-20 US disclosed
EP-0763032-B1 PALLADIUM CATALYZED RING CLOSURE OF TRIAZOLYL TRYPTAMINE MERCK & CO INC (US) 2003-10-15 EP disclosed
EP-0925302-B1 PALLADIUM CATALYZED INDOLIZATION MERCK & CO INC (US) 2002-11-20 EP disclosed
US-6211219-B1 DRUGS, ANALGESICS AND AGONISTS MERCK SHARP & DOHME LTD. (GB) 2001-04-03 US disclosed
US-6150391-A Diazabicyclo-octane derivatives as 5-HT receptor ligands MERCK SHARP & DOHME LTD. 2000-11-21 US disclosed
WO-1996017842-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES AS 5HT1 RECEPTOR AGONISTS MERCK SHARP & DOHME LIMITED (GB) 1996-06-13 WO disclosed
WO-1996016056-A1 PIPERAZINE, PIPERIDINE & TETRAHYDROPYRIDINE DERIVATIVES USEFUL AS 5-HT1 RECEPTOR AGONISTS MERCK SHARP & DOHME LIMITED (GB) 1996-05-30 WO disclosed
WO-1996004269-A1 INDOLINE AND AZAINDOLINE DERIVATIVES AS 5-HT1D ALPHA RECEPTOR AGONISTS MERCK SHARP & DOHME LIMITED (GB) 1996-02-15 WO disclosed
WO-1995032197-A1 PALLADIUM CATALYZED RING CLOSURE OF TRIAZOLYL TRYPTAMINE MERCK & CO., INC. (US) 1995-11-30 WO disclosed
WO-1995032196-A1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES OF INDOL-3-YLALKYL AS 5-HT1D-ALPHA AGONISTS MERCK SHARP & DOHME LIMITED (GB) 1995-11-30 WO disclosed
US-5434154-A Serotonin agonists BRISTOL-MYERS SQUIBB COMPANY (US) 1995-07-18 US disclosed
US-5434154-A Serotonin agonists BRISTOL-MYERS SQUIBB COMPANY (US) 1995-07-18 US disclosed
EP-0548813-A1 Antimigraine 4-pyrimidinyl and pyridinyl derivatives of indol-3yl-alkyl piperazines Bristol-Myers Squibb Company (US) 1993-06-30 EP disclosed
EP-0548813-A1 Antimigraine 4-pyrimidinyl and pyridinyl derivatives of indol-3yl-alkyl piperazines Bristol-Myers Squibb Company (US) 1993-06-30 EP disclosed
EP-0548813-A1 Antimigraine 4-pyrimidinyl and pyridinyl derivatives of indol-3yl-alkyl piperazines Bristol-Myers Squibb Company (US) 1993-06-30 EP 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-20060084644-A1 Novel pyridine compounds, process for their preparation and compositions containing them LDLR, LRP6, PLPBP GPR84 2037/4885FFAR1 693/4885ALDH1A1 3749/4885
US-20080214559-A1 COMPOUNDS WITH A COMBINATION OF CANNABINOID CB1 ANTAGONISM AND SEROTONIN REUPTAKE INHIBITION CNR1, OPRL1, CNR2 GPR84 176/4885FFAR1 365/4885ALDH1A1 435/4885

“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.