SCHEMBL2615360

SCHEMBL2615360

Cc1ccc(-c2cccc(C(F)(F)F)c2)nn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
HSD17B10 Q99714 2/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
GABRA1 P14867 1/20 0.56
HPGD P15428 1/20 0.56
GABRG2 P18507 1/20 0.56
GABRB3 P28472 1/20 0.56
GABRA5 P31644 1/20 0.56
GABRA3 P34903 1/20 0.56
GABRA2 P47869 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
CNR2 P34972 1/20 0.53
KDM1A O60341 2/20 0.51
MAOB P27338 2/20 0.50
IDO1 P14902 1/20 0.50
NPC1 O15118 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL3970891 0.80 CNR2 (0.53) KDM4EHSD17B10ALDH1A1CYP1A2CYP3A4
SCHEMBL10853666 0.80 CNR2 (0.53) KDM4EHSD17B10ALDH1A1CYP1A2CYP3A4
SCHEMBL2609372 0.80 MAOB (0.50) KDM4EHSD17B10ALDH1A1CYP1A2CYP3A4
SCHEMBL17826986 0.80 KDM4E (0.52) KDM4EHSD17B10ALDH1A1CYP1A2CYP3A4
SCHEMBL2615845 0.79 KIF11 (0.45) KDM4EHSD17B10ALDH1A1CYP1A2HPGD
SCHEMBL2615262 0.78 CTSS (0.60) KDM4EHSD17B10ALDH1A1CYP1A2CYP3A4
SCHEMBL13745012 0.77 MET (0.52) KDM4EALDH1A1MAOBIDO1NPC1
SCHEMBL24155631 0.77 EGFR (0.44) KDM4EALDH1A1CYP1A2HTTRAB9A
SCHEMBL24359756 0.77 RAB9A (0.49) KDM4EALDH1A1HPGDKDM1AIDO1
SCHEMBL19865072 0.77 KDM1A (0.62) KDM4EHSD17B10ALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785445-B2 7-phenoxychroman carboxylic acid derivatives ARRAY BIOPHARMA INC. (US) 2014-07-22 US disclosed
US-20120101103-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2012-04-26 US disclosed
US-8114866-B2 Derivatives of 1-piperazine- and 1-homopiperazine-carboxylates, preparation method thereof and use of same as inhibitors of the FAAH enzyme SANOFI-AVENTIS (FR) 2012-02-14 US disclosed
US-8114866-B2 Derivatives of 1-piperazine- and 1-homopiperazine-carboxylates, preparation method thereof and use of same as inhibitors of the FAAH enzyme SANOFI-AVENTIS (FR) 2012-02-14 US disclosed
WO-2010075200-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2010-07-01 WO disclosed
US-20100137329-A1 DERIVATIVES OF 1-PIPERAZINE- AND 1-HOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS INHIBITORS OF THE FAAH ENZYME SANOFI-EVENTIS (FR) 2010-06-03 US disclosed
US-20100137329-A1 DERIVATIVES OF 1-PIPERAZINE- AND 1-HOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS INHIBITORS OF THE FAAH ENZYME SANOFI-EVENTIS (FR) 2010-06-03 US disclosed
US-7687503-B2 2-(methylamino)-2-oxoethyl 4-{5-[3-(trifluoromethyl)-phenyl]-2-pyridyl}-1-piperazinecarboxylate, for example; enzyme inhibitors of fatty acid amide hydrolases; treatment of pain, eating disorders, neurological and psychiatric pathologies, among other disorders SANOFI-AVENTIS (FR) 2010-03-30 US disclosed
US-7687503-B2 2-(methylamino)-2-oxoethyl 4-{5-[3-(trifluoromethyl)-phenyl]-2-pyridyl}-1-piperazinecarboxylate, for example; enzyme inhibitors of fatty acid amide hydrolases; treatment of pain, eating disorders, neurological and psychiatric pathologies, among other disorders SANOFI-AVENTIS (FR) 2010-03-30 US disclosed
EP-1701946-B1 DERIVATIVES OF 1-PIPERAZINE- AND 1-HOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS INHIBITORS OF THE FAAH ENZYME SANOFI AVENTIS (FR) 2007-12-19 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-20100137329-A1 DERIVATIVES OF 1-PIPERAZINE- AND 1-HOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS INHIBITORS OF THE FAAH ENZYME FAAH, FAAH2, CNR1 KDM4E 837/4885HSD17B10 492/4885ALDH1A1 152/4885
US-20120101103-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES PTGDR2, PTGDR, HRH2 KDM4E 1406/4885HSD17B10 753/4885ALDH1A1 840/4885

“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.