SCHEMBL18367644

SCHEMBL18367644

CCN1CC(n2cc(C(C)(C)C)nn2)C1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
DPP4 P27487 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
KDM6B O15054 1/20 0.30
KDM4A O75164 1/20 0.30
KDM5C P41229 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
KDM2A Q9Y2K7 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
SCHEMBL18367651 0.88 HTR6 (0.38) ALDH1A1KDM6BKDM5CKDM4CKDM2A
SCHEMBL18367646 0.88 HTR6 (0.38) ALDH1A1KDM6BKDM5CKDM4CKDM2A
SCHEMBL19726576 0.88 HTR6 (0.38) ALDH1A1KDM6BKDM5CKDM4CKDM2A
SCHEMBL18367605 0.84
SCHEMBL18367602 0.84 DRD4 (0.40) ALDH1A1HRH3KDM6BKDM5CKDM4C
SCHEMBL18367614 0.82
SCHEMBL18367621 0.81
SCHEMBL18367661 0.79 RET (0.36) HRH4HRH3GABRA2GABRB2
SCHEMBL18378723 0.78 KDM5A (0.36) IRAK4KDM6BKDM4AKDM5CKDM4C
SCHEMBL18161139 0.76 PSMB8 (0.35) HRH4HRH3GABRA2GABRB2

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 4 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-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 (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-10316017-B2 COT modulators and methods of use thereof BRDT, THRB, HCCS ALDH1A1 2149/4885IRAK4 1281/4885DPP4 3764/4885
US-20170008873-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS ALDH1A1 2149/4885IRAK4 1281/4885DPP4 3764/4885

“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.