SCHEMBL3591817

SCHEMBL3591817

CC(C)COC(=O)[CH]N1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
CHRM5 P08912 2/20 0.36
CHRM3 P20309 2/20 0.36
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
P2RX4 Q99571 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
NFKB1 P19838 1/20 0.31
PTGS1 P23219 1/20 0.31
APEX1 P27695 1/20 0.31
THPO P40225 1/20 0.31
PMP22 Q01453 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CHRM2 P08172 1/20 0.31

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
SCHEMBL3590883 0.81 HCAR2 (0.38) TSHRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3600027 0.74 MEN1 (0.39) TSHRCHRM5CHRM3ALDH1A1MEN1
SCHEMBL112264 0.74 RAB9A (0.44) TSHRCHRM5CHRM3ALDH1A1RAB9A
SCHEMBL4523072 0.72 CHRM5 (0.39) TSHRCHRM5CHRM3ALDH1A1MEN1
SCHEMBL21946897 0.71 CHRM5 (0.51) TSHRCHRM5CHRM3ALDH1A1RAB9A
SCHEMBL3582549 0.70 USP2 (0.33) HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL20179968 0.70 CHRM5 (0.50) TSHRCHRM5CHRM3ALDH1A1RAB9A
SCHEMBL21695211 0.70 CHRM5 (0.50) TSHRCHRM5CHRM3ALDH1A1RAB9A
SCHEMBL1873610 0.69 RAB9A (0.43) TSHRCHRM5CHRM3RAB9AHPGD
SCHEMBL19450983 0.69 CHRM5 (0.41) TSHRCHRM5CHRM3ALDH1A1RAB9A

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 TSHR 2250/4885CHRM5 952/4885CHRM3 770/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH TSHR 2250/4885CHRM5 952/4885CHRM3 770/4885

“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.