SCHEMBL19732402

SCHEMBL19732402

Cc1c(C(C)C)cccc1-n1nccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.38
TSHR P16473 3/20 0.38
FAAH O00519 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
LMNA P02545 2/20 0.38
GABRB2 P47870 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
GABRB1 P18505 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
HTR2B P41595 1/20 0.38
GABRA2 P47869 1/20 0.38

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
SCHEMBL12862574 0.82 FAAH (0.48) GABRA1TSHRFAAHGABRG2GABRB3
SCHEMBL22040918 0.80 NOTUM (0.43) GABRA1TSHRFAAHGABRG2GABRB3
SCHEMBL20150082 0.77 TSHR (0.38) GABRA1TSHRFAAHGABRG2GABRB3
SCHEMBL14850900 0.76 ADRB1 (0.44) TSHRLMNAHPGDHCRTR1HCRTR2
SCHEMBL21863515 0.74 GABRA1 (0.38) GABRA1TSHRFAAHGABRG2GABRB3
SCHEMBL14883248 0.74 TSHR (0.48) GABRA1TSHRFAAHGABRG2GABRB3
SCHEMBL14883241 0.74 HCRTR1 (0.34) TSHRLMNACA1CA2CYP1A2
SCHEMBL10109662 0.73 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL9618396 0.73 CYP3A4 (0.49) TSHRLMNACYP1A2CYP3A4ALDH1A1
SCHEMBL19589426 0.73 NOTUM (0.46) GABRA1TSHRFAAHGABRG2GABRB3

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 2 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

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-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS GABRA1 1992/4885TSHR 11/4885FAAH 4151/4885
US-10316017-B2 COT modulators and methods of use thereof BRDT, THRB, HCCS GABRA1 1992/4885TSHR 11/4885FAAH 4151/4885

“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.