SCHEMBL3591846

SCHEMBL3591846

Cn1nnc(-c2cnccn2)n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.40
HSD11B1 P28845 1/20 0.36
RAB9A P51151 4/20 0.35
NPC1 O15118 3/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
USP2 O75604 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP1A2 P05177 1/20 0.34
P2RX7 Q99572 1/20 0.34
EPHX2 P34913 1/20 0.34
KDM2B Q8NHM5 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
GRM5 P41594 1/20 0.33
PKM P14618 1/20 0.33
NISCH Q9Y2I1 1/20 0.33

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
SCHEMBL3591842 0.81 TRPM8 (0.37) TRPM8HSD11B1RAB9ANPC1ALDH1A1
SCHEMBL3585013 0.74 TP53 (0.55) KDM4ETDP1CYP1A2GRM5
SCHEMBL13978020 0.73 TP53 (0.44) RAB9ANPC1ALDH1A1KDM4EGLA
SCHEMBL31705084 0.69 CHRM2 (0.39) RAB9AALDH1A1TDP1CYP1A2P2RX7
SCHEMBL46305 0.69 CCR1 (0.52) PPARARAB9ANPC1KDM4EEPHX2
SCHEMBL23869661 0.68 CYP1A2 (0.42) HSD11B1RAB9ANPC1ALDH1A1KDM4E
SCHEMBL12340923 0.68 KDM4E (0.37) TRPM8HSD11B1RAB9ANPC1ALDH1A1
SCHEMBL4780009 0.68 NPC1 (0.46) RAB9ANPC1KDM4EGLATDP1
SCHEMBL30501301 0.68 KDM4E (0.45) TRPM8HSD11B1RAB9ANPC1ALDH1A1
SCHEMBL31704940 0.68 CYP1A2 (0.35) HSD11B1RAB9AALDH1A1TDP1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US claimed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 US claimed
EP-2121598-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-11-25 EP claimed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 WO claimed
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US disclosed
US-8431607-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2013-04-30 US disclosed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 US disclosed
EP-2121598-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-11-25 EP disclosed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 WO 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-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH PPARA 217/4885TRPM8 118/4885HSD11B1 1978/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH PPARA 217/4885TRPM8 118/4885HSD11B1 1978/4885

“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.