SCHEMBL13440313

SCHEMBL13440313

CC(C)c1cccc(C#N)c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.61
GABRB2 P47870 3/20 0.61
GABRG2 P18507 2/20 0.61
GABRB3 P28472 2/20 0.61
TSHR P16473 2/20 0.61
GABRB1 P18505 2/20 0.61
CA1 P00915 2/20 0.61
CA2 P00918 2/20 0.61
FAAH O00519 1/20 0.61
LMNA P02545 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
HPGD P15428 1/20 0.61
PTGS1 P23219 1/20 0.61
SLC6A2 P23975 1/20 0.61
HTR2C P28335 1/20 0.61
GABRA5 P31644 1/20 0.61
GABRA3 P34903 1/20 0.61
HTR2B P41595 1/20 0.61
GABRA2 P47869 1/20 0.61

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
SCHEMBL21883565 0.82 GABRA1 (0.39) GABRA1GABRB2GABRG2GABRB3TSHR
SCHEMBL1981242 0.82 TSHR (0.52) GABRA1GABRB2GABRG2GABRB3TSHR
SCHEMBL17202443 0.80 TSHR (0.38) GABRA1GABRB2GABRG2GABRB3TSHR
SCHEMBL21883586 0.80 TSHR (0.38) GABRA1GABRB2GABRG2GABRB3TSHR
SCHEMBL19779459 0.79 TSHR (0.39) GABRA1GABRB2GABRG2GABRB3TSHR
SCHEMBL19779785 0.79 TSHR (0.37) GABRA1GABRB2GABRG2GABRB3TSHR
SCHEMBL29835035 0.79 TSHR (0.50) GABRA1GABRB2GABRG2GABRB3TSHR
SCHEMBL254017 0.79 TSHR (0.50) GABRA1GABRB2GABRG2GABRB3TSHR
SCHEMBL3032522 0.78 CXCR2 (0.47) TSHRCA1CA2LMNAHPGD
Propofol SCHEMBL2414429 0.78 GABRA1 (1.00) GABRA1GABRB2GABRG2GABRB3TSHR

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210171492-A1 SOMATOSTATIN MODULATORS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2021-06-10 US disclosed
US-10875839-B2 Somatostatin modulators and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2020-12-29 US disclosed
US-20200190053-A1 SOMATOSTATIN MODULATORS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2020-06-18 US disclosed
US-10597377-B2 Somatostatin modulators and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2020-03-24 US disclosed
US-10351547-B2 Somatostatin modulators and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2019-07-16 US disclosed
US-20190002431-A1 SOMATOSTATIN MODULATORS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2019-01-03 US disclosed
US-9896432-B2 Somatostatin modulators and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2018-02-20 US disclosed
US-9896432-B2 Somatostatin modulators and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2018-02-20 US disclosed
US-20180016252-A1 SOMATOSTATIN MODULATORS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2018-01-18 US disclosed
US-20180016252-A1 SOMATOSTATIN MODULATORS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2018-01-18 US disclosed
WO-2018013676-A1 SOMATOSTATIN MODULATORS AND USES THEREOF Crinetics Pharmaceuticals, Inc. (US) 2018-01-18 WO disclosed
US-7691856-B2 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands SCHERING CORPORATION (US) 2010-04-06 US disclosed
US-7671212-B2 Isothiazole dioxides as CXC- and CC-chemokine receptor ligands SCHERING CORPORATION (US) 2010-03-02 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 (7 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-20180016252-A1 SOMATOSTATIN MODULATORS AND USES THEREOF SSTR5, SSTR2, SSTR4 GABRA1 322/4885GABRB2 182/4885GABRG2 274/4885
US-20200190053-A1 SOMATOSTATIN MODULATORS AND USES THEREOF SSTR5, SSTR2, SSTR4 GABRA1 322/4885GABRB2 182/4885GABRG2 274/4885
US-10597377-B2 Somatostatin modulators and uses thereof SSTR5, SSTR2, SSTR4 GABRA1 322/4885GABRB2 182/4885GABRG2 274/4885
US-10351547-B2 Somatostatin modulators and uses thereof SSTR5, SSTR2, SSTR4 GABRA1 322/4885GABRB2 182/4885GABRG2 274/4885
US-20190002431-A1 SOMATOSTATIN MODULATORS AND USES THEREOF SSTR5, SSTR2, SSTR4 GABRA1 322/4885GABRB2 182/4885GABRG2 274/4885
US-10875839-B2 Somatostatin modulators and uses thereof SSTR5, SSTR2, SSTR4 GABRA1 322/4885GABRB2 182/4885GABRG2 274/4885
US-20210171492-A1 SOMATOSTATIN MODULATORS AND USES THEREOF SSTR5, SSTR2, SSTR4 GABRA1 322/4885GABRB2 182/4885GABRG2 274/4885

“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.