SCHEMBL18368403

SCHEMBL18368403

CC(C)c1cccc2c1CCN(C1CCC1)C2

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.36
HTR6 P50406 2/20 0.36
DRD3 P35462 1/20 0.36
SLC18A3 Q16572 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
SMO Q99835 1/20 0.34
KCNH2 Q12809 1/20 0.34
MBTD1 Q05BQ5 1/20 0.34
L3MBTL3 Q96JM7 1/20 0.34
PRCP P42785 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL18368361 0.87 USP9X (0.37) DRD2HTR6DRD3TRPV1HRH3
SCHEMBL18368367 0.84 EGFR (0.36) DRD2HTR6TRPV1
SCHEMBL20824747 0.81 SLC18A3 (0.39) DRD2HTR6DRD3SLC18A3HRH3
SCHEMBL12680738 0.75 MAOA (0.53) DRD2HTR6DRD3OPRK1
SCHEMBL18609104 0.74 GABRA1 (0.38) TRPV1
SCHEMBL12681592 0.74 ACACB (0.36) TRPV1
SCHEMBL19755625 0.74 HRH3 (0.36) HTR6DRD3TRPV1HRH3KCNH2
SCHEMBL12680759 0.73 HRH3 (0.56) DRD2HRH3
SCHEMBL19957904 0.72 ESR1 (0.44)
SCHEMBL23482175 0.72 HRH3 (0.49) DRD2HRH3

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-9878995-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2018-01-30 US disclosed
US-20170152240-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-06-01 US disclosed
US-20170008905-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-20170152240-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS DRD2 4763/4885HTR6 1452/4885DRD3 4806/4885
US-20170008905-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS DRD2 4763/4885HTR6 1452/4885DRD3 4806/4885

“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.