SCHEMBL4575378

SCHEMBL4575378

CCCc1cc(N)cc(CCC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
GFER P55789 2/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
CA2 P00918 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
CYP3A4 P08684 1/20 0.34
PTGS2 P35354 1/20 0.34
LPL P06858 1/20 0.34
LIPG Q9Y5X9 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
SCHEMBL10492672 0.94 CNR1 (0.38) CNR1CNR2GFERNPC1MAPT
SCHEMBL19619234 0.89 NPC1 (0.33) CNR1CNR2GFERNPC1MAPT
SCHEMBL7737459 0.85 ALDH1A1 (0.55) CNR1CNR2GFERNPC1MAPT
SCHEMBL7700304 0.85 CNR1 (0.46) CNR1CNR2NPC1RAB9ACA2
SCHEMBL19251069 0.85 GABRA1 (0.32) CNR1CNR2GFERNPC1MAPT
SCHEMBL11616670 0.84 HPGD (0.50) NPC1MAPTRAB9ACA2ALDH1A1
SCHEMBL3790998 0.84 CYP3A4 (0.50) CNR1CNR2GFERNPC1MAPT
SCHEMBL18380130 0.84 NPC1 (0.33) CNR1CNR2GFERNPC1MAPT
SCHEMBL25707543 0.84 IDO1 (0.35) CNR1CNR2GFERNPC1MAPT
SCHEMBL27715319 0.84 PTGS2 (0.52) CNR1CNR2NPC1RAB9AGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080244963-A1 Lead-Free Aviation Fuel TOTAL FRANCE (FR) 2008-10-09 US claimed
EP-1971668-A1 LEAD-FREE AVIATION FUEL Total France (FR) 2008-09-24 EP claimed
WO-2007074226-A1 LEAD-FREE AVIATION FUEL TOTAL FRANCE (FR) 2007-07-05 WO claimed
US-20170073357-A1 BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING BRISTOL-MYERS SQUIBB COMPANY 2017-03-16 US disclosed
US-20160013392-A1 METHOD OF PRODUCING THERMOELECTRIC CONVERSION ELEMENT AND METHOD OF PREPARATION DISPERSION FOR THERMOELECTRIC CONVERSION LAYER FUJIFILM CORPORATION (JP) 2016-01-14 US disclosed
US-20160013392-A1 METHOD OF PRODUCING THERMOELECTRIC CONVERSION ELEMENT AND METHOD OF PREPARATION DISPERSION FOR THERMOELECTRIC CONVERSION LAYER FUJIFILM CORPORATION (JP) 2016-01-14 US disclosed
US-20080244963-A1 Lead-Free Aviation Fuel TOTAL FRANCE (FR) 2008-10-09 US disclosed
US-4164511-A Manufacture of N-arylglycinonitriles BASF AKTIENGESELLSCHAFT (DE) 1979-08-14 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-20170073357-A1 BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, AND METHODS OF MAKING AND USING GABRA1, GABRA3, GABRA2 CNR1 38/4885CNR2 83/4885GFER 1755/4885

“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.