SCHEMBL740828

SCHEMBL740828

C=CC(c1c[nH]c2ccccc12)C1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.50
ADRB2 P07550 1/20 0.50
SLC6A4 P31645 3/20 0.48
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
GPR84 Q9NQS5 3/20 0.43
FFAR1 O14842 2/20 0.43
ALDH1A1 P00352 3/20 0.41
GLA P06280 1/20 0.41
MAPK1 P28482 1/20 0.41
HTR2A P28223 2/20 0.40
HTR2B P41595 1/20 0.40
SRC P12931 1/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL2071447 0.77 HTR2C (0.50) HTR2CADRB2SLC6A4HTR3EHTR3B
SCHEMBL143511 0.76 SLC6A4 (0.47) HTR2CADRB2SLC6A4HTR3EHTR3B
SCHEMBL11203135 0.74 SLC6A4 (0.51) HTR2CADRB2SLC6A4HTR3EHTR3B
SCHEMBL1702617 0.73 SLC6A2 (0.42) SLC6A4KCNH2
SCHEMBL11374722 0.73 GPR84 (0.51) HTR2CSLC6A4GPR84FFAR1ALDH1A1
SCHEMBL742887 0.73 GPR84 (0.42) HTR2CADRB2SLC6A4GPR84FFAR1
SCHEMBL4797777 0.73 GPR84 (0.39) HTR2CSLC6A4GPR84FFAR1ALDH1A1
SCHEMBL6157434 0.73 GPR84 (0.55) HTR2CSLC6A4GPR84FFAR1ALDH1A1
SCHEMBL5729264 0.72 NCF1 (0.43) ADRB2SLC6A4MAPTCYP3A4CYP2D6
SCHEMBL21479835 0.72 GPR84 (0.58) HTR2CADRB2SLC6A4GPR84FFAR1

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 4 patents. 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
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

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-20080214559-A1 COMPOUNDS WITH A COMBINATION OF CANNABINOID CB1 ANTAGONISM AND SEROTONIN REUPTAKE INHIBITION CNR1, OPRL1, CNR2 HTR2C 9/4885ADRB2 74/4885SLC6A4 20/4885

“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.