SCHEMBL3677797

SCHEMBL3677797

CC(C)(C)OC(=O)N1CCN(CCN2CC(c3cccc(C(F)(F)F)c3)N(c3ccc(Oc4ccc(Cl)cc4)cc3)C2=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.42
RXFP1 Q9HBX9 1/20 0.39
LMNA P02545 3/20 0.39
HTT P42858 2/20 0.39
MAPT P10636 1/20 0.39
CETP P11597 1/20 0.38
MC4R P32245 1/20 0.37
NOTCH1 P46531 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ALDH1A1 P00352 1/20 0.36
VEGFA P15692 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
UTS2R Q9UKP6 1/20 0.36
TP53 P04637 2/20 0.36
THRB P10828 1/20 0.36
ADORA2A P29274 1/20 0.36
DDR1 Q08345 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL4564220 0.90 LMNA (0.42) LMNAHTTMAPTCETPALDH1A1
SCHEMBL3596129 0.89 CNR1 (0.37) CNR1LMNAHTTMAPTCETP
SCHEMBL3596133 0.89 CNR1 (0.37) CNR1LMNAHTTMAPTCETP
SCHEMBL3595758 0.88 DRD2 (0.41) LMNAHTTMAPTCETPNPSR1
SCHEMBL3584290 0.87 HTT (0.45) CNR1RXFP1LMNAHTTMAPT
SCHEMBL3584291 0.87 HTT (0.45) CNR1RXFP1LMNAHTTMAPT
SCHEMBL3593525 0.86 DRD2 (0.48) LMNAHTTMAPTCETPDRD2
SCHEMBL3593742 0.85 P2RX7 (0.40) CETPHDAC1HDAC8HDAC6DRD2
SCHEMBL3594738 0.85 CETP (0.38) CNR1LMNAHTTMAPTCETP
SCHEMBL3585947 0.84 CETP (0.40) LMNAHTTMAPTCETPMC4R

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 3 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 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

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 CNR1 1/4885RXFP1 568/4885LMNA 2549/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH CNR1 1/4885RXFP1 568/4885LMNA 2549/4885

“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.