SCHEMBL18367652

SCHEMBL18367652

CC(C)(C)c1cn([C@@H]2CCN(C(=O)OCc3ccccc3)C2)nn1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.46
KDM6B O15054 2/20 0.44
KDM5C P41229 2/20 0.44
KDM4C Q9H3R0 2/20 0.44
KDM3A Q9Y4C1 2/20 0.44
KDM2A Q9Y2K7 1/20 0.44
GRIN2B Q13224 5/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL18367650 1.00 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL19726578 0.94 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL22702107 0.86 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL18378724 0.86 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL18378757 0.86 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL22702062 0.84 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL19726579 0.82 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL19732305 0.80 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL18379297 0.78 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL20173261 0.77 ALDH1A1 (0.46) SMN1; SMN2NPC1RAB9ACYP2C19CYP2C9

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-10316017-B2 COT modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2019-06-11 US disclosed
US-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-12-21 US disclosed
US-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-12-21 US disclosed
US-9815818-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2017-11-14 US disclosed
US-9815818-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2017-11-14 US disclosed
US-20170008873-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-01-12 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 (3 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-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS SMN1; SMN2 4716/4885NPC1 4279/4885RAB9A 4028/4885
US-10316017-B2 COT modulators and methods of use thereof BRDT, THRB, HCCS SMN1; SMN2 4716/4885NPC1 4279/4885RAB9A 4028/4885
US-20170008873-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS SMN1; SMN2 4716/4885NPC1 4279/4885RAB9A 4028/4885

“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.