SCHEMBL595209

SCHEMBL595209

CNC(=O)COC(=O)N1CCN(c2ccc(I)cn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
HPGD P15428 1/20 0.51
HDAC1 Q13547 1/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
FAAH O00519 1/20 0.43
USP30 Q70CQ3 2/20 0.42
HRH3 Q9Y5N1 3/20 0.41
P2RY12 Q9H244 1/20 0.41
AOC3 Q16853 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMO Q99835 1/20 0.39
DGAT1 O75907 3/20 0.39
ME2 P23368 1/20 0.39
ME1 P48163 1/20 0.39

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
SCHEMBL5235127 0.87 SMN1; SMN2 (0.55) SMN1; SMN2HPGDHDAC1RAB9AKDM4E
SCHEMBL594698 0.86 AKR1C3 (0.52) SMN1; SMN2HPGDHDAC1RAB9AKDM4E
SCHEMBL594565 0.86 SMN1; SMN2 (0.51) SMN1; SMN2HPGDHDAC1RAB9AKDM4E
SCHEMBL10093042 0.83 SMN1; SMN2 (0.51) SMN1; SMN2HPGDRAB9AKDM4EALDH1A1
SCHEMBL594527 0.82 MAPT (0.53) SMN1; SMN2HPGDKDM4EALDH1A1LMNA
SCHEMBL594763 0.82 AKR1C3 (0.48) SMN1; SMN2HPGDHDAC1RAB9AKDM4E
SCHEMBL594245 0.82 PANK3 (0.49) SMN1; SMN2HPGDHDAC1RAB9AKDM4E
SCHEMBL5236694 0.82 FAAH (0.52) SMN1; SMN2HPGDRAB9AALDH1A1LMNA
SCHEMBL5235991 0.81 KDM4E (0.57) SMN1; SMN2HPGDKDM4EALDH1A1TSHR
SCHEMBL595310 0.80 SMN1; SMN2 (0.64) SMN1; SMN2HPGDKDM4EALDH1A1LMNA

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-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-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-20060293310-A1 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) 2006-12-28 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 (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 SMN1; SMN2 2237/4885HPGD 198/4885HDAC1 295/4885
US-20060293310-A1 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 FAAH, FAAH2, APEH SMN1; SMN2 1210/4885HPGD 973/4885HDAC1 293/4885

“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.