SCHEMBL3595014

SCHEMBL3595014

CN(C)S(=O)(=O)NN1CCN(C[C@@H]2OC(=O)N(c3ccc(C(F)(F)F)cc3)[C@H]2c2cccc(F)c2)CC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.32
FLT3 P36888 1/20 0.32
MCL1 Q07820 1/20 0.32
CYP3A4 P08684 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
CCR5 P51681 5/20 0.31
PLD2 O14939 1/20 0.30
PLD1 Q13393 1/20 0.30
OPRK1 P41145 1/20 0.30

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
SCHEMBL13168227 0.88 LMNA (0.34) CYP3A4CA1CA2CA9CCR5
SCHEMBL4445468 0.86 KCNN4 (0.34) CYP3A4CA1CA2CA9CCR5
SCHEMBL3592352 0.83 ALDH1A1 (0.36) CCR5
Sulfamide SCHEMBL4438457 0.73 CA1 (0.35) CA1CA2CA9
SCHEMBL4441032 0.72 DRD2 (0.41) CYP3A4
SCHEMBL15182170 0.71 CNR1 (0.42) CYP3A4
SCHEMBL4445907 0.71 PAX8 (0.35)
SCHEMBL3593660 0.71 PAX8 (0.35)
SCHEMBL4447331 0.71 MEN1 (0.38) CYP3A4
SCHEMBL4439801 0.70 KMT2A (0.38)

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 5 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
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 NTRK1 579/4885FLT3 2411/4885MCL1 1124/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH NTRK1 579/4885FLT3 2411/4885MCL1 1124/4885

“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.