SCHEMBL11923168

SCHEMBL11923168

COc1cccc(N(C(=O)c2cnc(N3CCCCC3)nc2-c2ccccc2Cl)C2CCCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 1/20 0.42
▸ CAMK1D Q8IU85 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ TRPM8 Q7Z2W7 2/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ TACR1 P25103 1/20 0.37
▸ GRM5 P41594 2/20 0.36
▸ CCKAR P32238 1/20 0.36
▸ PIK3CA P42336 1/20 0.36

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
SCHEMBL8267650 1.00 GPBAR1 (0.42) GPBAR1CAMK1DL3MBTL1MAPTOPRM1
SCHEMBL11923182 0.99 GPBAR1 (0.42) GPBAR1CAMK1DL3MBTL1MAPTOPRM1
SCHEMBL11923203 0.98 GPBAR1 (0.42) GPBAR1CAMK1DL3MBTL1MAPTOPRM1
SCHEMBL11923297 0.94 GPBAR1 (0.41) GPBAR1CAMK1DMAPTOPRM1CNR2
SCHEMBL11923189 0.91 L3MBTL1 (0.39) CAMK1DL3MBTL1MAPTOPRM1TRPM8
SCHEMBL8266507 0.91 L3MBTL1 (0.39) CAMK1DL3MBTL1MAPTOPRM1TRPM8
SCHEMBL11923243 0.90 FFAR1 (0.39) CAMK1DL3MBTL1MAPTOPRM1TRPM8
SCHEMBL8267722 0.88 FFAR1 (0.39) CAMK1DL3MBTL1MAPTOPRM1TACR1
SCHEMBL8267731 0.85 GPBAR1 (0.43) GPBAR1CAMK1DMAPTCNR2TACR1
SCHEMBL11923186 0.85 PDE4B (0.38) MAPTOPRM1ALDH1A1LMNATACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546414-B2 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-10-01 — — US disclosed
US-8546414-B2 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-10-01 — — US disclosed
US-20120270318-A1 ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-25 — — US disclosed
US-20120270318-A1 ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-25 — — US disclosed
US-8236815-B2 Ion channel modulators and methods of uses VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-07 — — US disclosed
US-8236815-B2 Ion channel modulators and methods of uses VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-07 — — US disclosed
US-7767680-B2 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-03 — — US disclosed
US-7767680-B2 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-03 — — US disclosed
US-20100184753-A1 Ion Channel Modulators and Methods of Uses VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-22 — — US disclosed
US-20100184753-A1 Ion Channel Modulators and Methods of Uses VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-22 — — 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-20100184753-A1 Ion Channel Modulators and Methods of Uses CACNA1G, CACNA1C, CACNA1B GPBAR1 2298/4885CAMK1D 234/4885L3MBTL1 3470/4885

“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.

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