SCHEMBL18367602

SCHEMBL18367602

CCN1CCC(n2cc(C(C)(C)C)nn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 6/20 0.40
SIGMAR1 Q99720 5/20 0.40
DRD2 P14416 2/20 0.40
KCNH2 Q12809 1/20 0.40
DRD3 P35462 1/20 0.40
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.35
HRH3 Q9Y5N1 2/20 0.34
LRRK2 Q5S007 1/20 0.34
KDM5C P41229 3/20 0.33
KDM2A Q9Y2K7 3/20 0.33
KDM4C Q9H3R0 2/20 0.33
KDM3A Q9Y4C1 2/20 0.33
KDM6B O15054 1/20 0.33
POLB P06746 1/20 0.33
HTR6 P50406 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32

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
SCHEMBL18367646 0.91 HTR6 (0.38) DRD4SIGMAR1DRD2KCNH2DRD3
SCHEMBL18367651 0.91 HTR6 (0.38) DRD4SIGMAR1DRD2KCNH2DRD3
SCHEMBL19726576 0.91 HTR6 (0.38) DRD4SIGMAR1DRD2KCNH2DRD3
SCHEMBL18367644 0.84 ALDH1A1 (0.33) ALDH1A1HRH3KDM5CKDM2AKDM4C
SCHEMBL18367636 0.84 DRD4 (0.38) DRD4SIGMAR1DRD2KCNH2DRD3
SCHEMBL18367661 0.84 RET (0.36) DRD4SIGMAR1DRD2KCNH2DRD3
SCHEMBL18367632 0.83 DRD4 (0.37) DRD4SIGMAR1DRD2KCNH2DRD3
SCHEMBL18367630 0.82 IRAK4 (0.38) DRD4SIGMAR1DRD2KCNH2DRD3
SCHEMBL18367582 0.81 DRD2 (0.33) DRD4SIGMAR1DRD2KCNH2DRD3
SCHEMBL18367634 0.81 DRD2 (0.33) DRD4SIGMAR1DRD2KCNH2DRD3

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 DRD4 4722/4885SIGMAR1 978/4885DRD2 4763/4885
US-10316017-B2 COT modulators and methods of use thereof BRDT, THRB, HCCS DRD4 4722/4885SIGMAR1 978/4885DRD2 4763/4885
US-20170008873-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS DRD4 4722/4885SIGMAR1 978/4885DRD2 4763/4885

“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.