SCHEMBL1163702

SCHEMBL1163702

CN(C)CCc1cn(Cc2ccccn2)c2c(F)ccc(O)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.44
HTR2C P28335 6/20 0.44
HTR1A P08908 2/20 0.42
HTR2B P41595 3/20 0.41
TAAR1 Q96RJ0 1/20 0.37
HTR6 P50406 4/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
GRIN1 Q05586 1/20 0.35
KCNH2 Q12809 1/20 0.35
GRIN2B Q13224 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90B1 P14625 1/20 0.34

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
SCHEMBL12874796 0.85 HRH3 (0.45) HTR2ATAAR1CYP1A2CYP2C9CYP2C19
SCHEMBL1163325 0.83 HTR6 (0.52) HTR2AHTR2CHTR1AHTR2BTAAR1
SCHEMBL1163366 0.82 HTR2A (0.43) HTR2AHTR1AHTR6HTR1D
SCHEMBL3176741 0.79 HTR2A (0.60) HTR2AHTR2CHTR1AHTR2BTAAR1
SCHEMBL1163260 0.78 HTR2A (0.43) HTR2AHTR2CHTR1AHTR2BTAAR1
SCHEMBL3173096 0.77 HTR2A (0.53) HTR2AHTR2CHTR1AHTR2BTAAR1
SCHEMBL3182797 0.77 HTR2A (0.64) HTR2AHTR2CHTR1AHTR2BTAAR1
SCHEMBL1163178 0.75 HTR6 (0.54) HTR2AHTR2CHTR1AHTR2BHTR6
SCHEMBL3176986 0.75 HTR2A (0.63) HTR2AHTR2CHTR1AHTR2BTAAR1
SCHEMBL3177851 0.75 HTR1A (0.47) HTR2AHTR2CHTR1AHTR2BTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2464227-A1 COMPOUNDS AND METHODS OF USE THEREOF Galenea Corporation (US) 2012-06-20 EP claimed
US-20110143977-A1 Lubricating Compositions Containing Sulphonates and Phenates THE LUBRIZOL CORPORATION 2011-06-16 US claimed
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION 2011-06-16 US claimed
WO-2011019738-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2011-02-17 WO claimed
US-7678746-B2 Mixing an overbased polysulfonate detergent, oligomers or polyphenylene thioethers of a 2,6-dimercaptophenol, and other performance additives; adding to an API Group I, Group II, Group III, or Group IV oil; marine diesel engines with improved cleanliness, decreased cylinder wear and deposits THE LUBRIZOL CORPORATION (US) 2010-03-16 US claimed
EP-1753849-A2 LUBRICATING COMPOSITIONS CONTAINING SULPHONATES AND PHENATES The Lubrizol Corporation (US) 2007-02-21 EP claimed
WO-2005112575-A2 LUBRICATING COMPOSITIONS CONTAINING SULPHONATES AND PHENATES THE LUBRIZOL CORPORATION (US) 2005-12-01 WO claimed
US-20050209110-A1 Mixing an overbased polysulfonate detergent, oligomers or polyphenylene thioethers of a 2,6-dimercaptophenol, and other performance additives; adding to an API Group I, Group II, Group III, or Group IV oil; marine diesel engines with improved cleanliness, decreased cylinder wear and deposits THE LUBRIZOL CORPORATION (US) 2005-09-22 US claimed
US-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF ELDER AMY (US) 2017-11-30 US disclosed
US-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF ELDER AMY (US) 2017-11-30 US disclosed
US-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF ELDER AMY (US) 2017-11-30 US disclosed
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2015-10-08 US disclosed
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2015-10-08 US disclosed
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2015-10-08 US disclosed
US-20110143977-A1 Lubricating Compositions Containing Sulphonates and Phenates THE LUBRIZOL CORPORATION 2011-06-16 US disclosed
WO-2011019738-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2011-02-17 WO disclosed
US-7678746-B2 Mixing an overbased polysulfonate detergent, oligomers or polyphenylene thioethers of a 2,6-dimercaptophenol, and other performance additives; adding to an API Group I, Group II, Group III, or Group IV oil; marine diesel engines with improved cleanliness, decreased cylinder wear and deposits THE LUBRIZOL CORPORATION (US) 2010-03-16 US disclosed
EP-1753849-A2 LUBRICATING COMPOSITIONS CONTAINING SULPHONATES AND PHENATES The Lubrizol Corporation (US) 2007-02-21 EP disclosed
WO-2005112575-A2 LUBRICATING COMPOSITIONS CONTAINING SULPHONATES AND PHENATES THE LUBRIZOL CORPORATION (US) 2005-12-01 WO disclosed
US-20050209110-A1 Mixing an overbased polysulfonate detergent, oligomers or polyphenylene thioethers of a 2,6-dimercaptophenol, and other performance additives; adding to an API Group I, Group II, Group III, or Group IV oil; marine diesel engines with improved cleanliness, decreased cylinder wear and deposits THE LUBRIZOL CORPORATION (US) 2005-09-22 US 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-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT HTR2A 34/4885HTR2C 27/4885HTR1A 38/4885
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT HTR2A 34/4885HTR2C 27/4885HTR1A 38/4885
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT HTR2A 34/4885HTR2C 27/4885HTR1A 38/4885

“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.