SCHEMBL2842297

SCHEMBL2842297

Cc1cccc(-c2ccc(C(O)C(N)c3ccc(Cl)cc3)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.44
PRCP P42785 3/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
UTS2R Q9UKP6 3/20 0.38
ENPP3 O14638 1/20 0.38
KCNH2 Q12809 1/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
NR4A2 P43354 1/20 0.38
EPHX1 P07099 1/20 0.36
SLC6A9 P48067 1/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36

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
SCHEMBL7813572 1.00 CNR1 (0.44) CNR1PRCPFNTAFNTBAKR1C2
SCHEMBL7813069 0.87 TAAR1 (0.47) CNR1PRCP
SCHEMBL2839013 0.87 TAAR1 (0.47) CNR1PRCP
SCHEMBL19598016 0.85 HTR2A (0.40) CNR1KCNH2MEN1KMT2A
SCHEMBL15952076 0.85 HTR2A (0.40) CNR1KCNH2MEN1KMT2A
SCHEMBL7813589 0.82 CNR1 (0.47) CNR1UTS2R
SCHEMBL2834940 0.82 CNR1 (0.47) CNR1UTS2R
SCHEMBL2833265 0.80 RORC (0.42) CNR1PRCP
SCHEMBL7803915 0.80 RORC (0.42) CNR1PRCP
SCHEMBL7813193 0.80 KIF11 (0.45)

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
EP-2398558-A1 AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-12-28 EP claimed
WO-2010094659-A1 AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 WO claimed
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS HOFFMANN-LA ROCHE, INC. 2010-08-19 US claimed
US-8367838-B2 Amines or amino alcohols as GLYT1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-02-05 US disclosed
US-20120232033-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS KOLCZEWSKI SABINE (DE) 2012-09-13 US disclosed
EP-2398558-A1 AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-12-28 EP disclosed
WO-2010094659-A1 AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 WO disclosed
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS HOFFMANN-LA ROCHE, INC. 2010-08-19 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 (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-20120232033-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 CNR1 1002/4885PRCP 3406/4885FNTA 226/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 CNR1 1002/4885PRCP 3406/4885FNTA 226/4885

“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.