Sugi Predict

Sugi Predict / Compounds / SCHEMBL3600472

SCHEMBL3600472

SCHEMBL3600472

CN1CCN(S(=O)(=O)CCN2CC(c3cccc(C(F)(F)F)c3)N(c3ccc(Oc4ccc(Cl)cc4)cc3)C2=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 3/20 0.38
▸ SLC6A4 P31645 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ HTT P42858 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ GALR3 O60755 1/20 0.34
▸ LTA4H P09960 1/20 0.34
▸ SCN9A Q15858 1/20 0.34

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
SCHEMBL3600468 1.00 CETP (0.38) CETPSLC6A4HRH3MEN1KMT2A
SCHEMBL3595299 0.95 CETP (0.41) CETPMEN1KMT2ALMNAL3MBTL1
SCHEMBL3595295 0.95 CETP (0.41) CETPMEN1KMT2ALMNAL3MBTL1
SCHEMBL3589826 0.94 CETP (0.39) CETPHRH3MEN1KMT2ALMNA
SCHEMBL3589829 0.94 CETP (0.39) CETPHRH3MEN1KMT2ALMNA
SCHEMBL3590947 0.92 TRPV4 (0.37) CETPLMNAHTTCYP3A4CYP2C9
SCHEMBL3589360 0.92 TRPV4 (0.37) CETPLMNAHTTMAPTLTA4H
SCHEMBL3590951 0.92 TRPV4 (0.37) CETPLMNAHTTCYP3A4CYP2C9
SCHEMBL3589357 0.92 TRPV4 (0.37) CETPLMNAHTTMAPTLTA4H
SCHEMBL3596133 0.89 CNR1 (0.37) CETPLMNAHTTMAPTSCN9A

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 6 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-8431607-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2013-04-30 — — US claimed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 — — US 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

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 CETP 779/4885SLC6A4 2606/4885HRH3 412/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH CETP 779/4885SLC6A4 2606/4885HRH3 412/4885

“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.