SCHEMBL10219396

SCHEMBL10219396

Cc1nc2cc(C(F)(F)F)ccc2nc1N1CCNCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.57
HTR1D P28221 3/20 0.57
HRH4 Q9H3N8 4/20 0.50
ADRB2 P07550 2/20 0.50
NCF1 P14598 1/20 0.50
HRH3 Q9Y5N1 1/20 0.48
ADRB1 P08588 2/20 0.47
HTR3E A5X5Y0 2/20 0.46
HTR3B O95264 2/20 0.46
HTR3A P46098 2/20 0.46
HTR3D Q70Z44 2/20 0.46
HTR3C Q8WXA8 2/20 0.46
ALDH1A1 P00352 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
CYP1A2 P05177 2/20 0.46
HTR6 P50406 3/20 0.45
ADRA2A P08913 1/20 0.45
AXL P30530 1/20 0.45
HRH1 P35367 1/20 0.45
HTR2B P41595 1/20 0.45

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
SCHEMBL10271922 0.86 CYP1A2 (0.59) HTR2CHTR1DHRH4HTR3EHTR3B
SCHEMBL31652347 0.78 CYP1A2 (0.72) HTR2CHRH4ADRB2NCF1ADRB1
SCHEMBL7243793 0.78 HRH4 (0.51) HRH4NCF1HRH3ADRB1HTR3E
SCHEMBL4472647 0.78 CYP1A2 (0.72) HTR2CHRH4ADRB2NCF1ADRB1
SCHEMBL24969921 0.76 HTR1D (0.54) HTR2CHTR1DHRH4ADRB2NCF1
SCHEMBL31142915 0.76 HTR1D (0.54) HTR2CHTR1DHRH4ADRB2NCF1
SCHEMBL7243017 0.76 HRH4 (0.69) HRH4ADRB1CYP1A2
SCHEMBL10219267 0.76 ENPP2 (0.47) ALDH1A1MAPTKDM4EHSD17B10
Hydrochloric Acid SCHEMBL30222818 0.75 HTR1D (0.53) HTR2CHTR1DHRH4ADRB2NCF1
SCHEMBL12224756 0.75 HTR2C (0.50) HTR2CHTR1DHRH4ADRB2NCF1

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-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 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 (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-20090286974-A1 Derivative having ppar agonistic activity PPARD, PPARA, PPARG HTR2C 947/4885HTR1D 640/4885HRH4 464/4885

“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.