SCHEMBL18367646

SCHEMBL18367646

CCN1CC[C@@H](n2cc(C(C)(C)C)nn2)C1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.38
DRD4 P21917 5/20 0.36
SIGMAR1 Q99720 4/20 0.36
DRD2 P14416 2/20 0.36
KCNH2 Q12809 1/20 0.36
DRD3 P35462 1/20 0.36
ALDH1A1 P00352 1/20 0.33
KDM5C P41229 2/20 0.32
KDM4C Q9H3R0 2/20 0.32
KDM2A Q9Y2K7 2/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.30
KDM6B O15054 1/20 0.30
KDM3A Q9Y4C1 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 1.00 HTR6 (0.38) HTR6DRD4SIGMAR1DRD2KCNH2
SCHEMBL19726576 1.00 HTR6 (0.38) HTR6DRD4SIGMAR1DRD2KCNH2
SCHEMBL18367602 0.91 DRD4 (0.40) HTR6DRD4SIGMAR1DRD2KCNH2
SCHEMBL18367644 0.88 ALDH1A1 (0.33) ALDH1A1KDM5CKDM4CKDM2AKDM6B
SCHEMBL18367613 0.81
SCHEMBL18367595 0.81 CHRNB2 (0.31)
SCHEMBL18378708 0.81 KDM5A (0.43) HTR6DRD4SIGMAR1DRD2KCNH2
SCHEMBL18378768 0.81 KDM5A (0.43) HTR6DRD4SIGMAR1DRD2KCNH2
SCHEMBL19732425 0.81 KDM5A (0.43) HTR6DRD4SIGMAR1DRD2KCNH2
SCHEMBL18367636 0.79 DRD4 (0.38) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20170008873-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS HTR6 1452/4885DRD4 4722/4885SIGMAR1 978/4885

“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.