SCHEMBL8266507

SCHEMBL8266507

COc1cccc(N(C(=O)c2cnc(N3CCCCC3)nc2-c2ccccc2F)C2CCCCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ FFAR1 O14842 1/20 0.39
▸ OPRM1 P35372 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TACR1 P25103 1/20 0.38
▸ TRPM8 Q7Z2W7 2/20 0.38
▸ CCKAR P32238 1/20 0.36
▸ AXL P30530 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ TYRO3 Q06418 1/20 0.36
▸ MERTK Q12866 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TDP1 Q9NUW8 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
SCHEMBL11923189 1.00 L3MBTL1 (0.39) L3MBTL1FFAR1OPRM1MAPTTACR1
SCHEMBL11923243 0.99 FFAR1 (0.39) L3MBTL1FFAR1OPRM1MAPTTACR1
SCHEMBL8267722 0.98 FFAR1 (0.39) L3MBTL1FFAR1OPRM1MAPTTACR1
SCHEMBL11923186 0.94 PDE4B (0.38) FFAR1OPRM1MAPTTACR1CCKAR
SCHEMBL8267732 0.94 ALDH1A1 (0.40) L3MBTL1FFAR1CYP1A2CYP3A4CYP2C9
SCHEMBL11923277 0.93 ALDH1A1 (0.41) FFAR1CYP1A2CYP3A4CYP2C9ALOX15
SCHEMBL8266787 0.92 ALDH1A1 (0.41) L3MBTL1FFAR1CYP1A2CYP3A4CYP2C9
SCHEMBL11923168 0.91 GPBAR1 (0.42) L3MBTL1OPRM1MAPTTACR1TRPM8
SCHEMBL8267650 0.91 GPBAR1 (0.42) L3MBTL1OPRM1MAPTTACR1TRPM8
SCHEMBL8266031 0.90 HCRTR2 (0.36) L3MBTL1OPRM1TACR1TRPM8CCKAR

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 11 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
WO-2006050476-A2 PYRIMIDINE DERIVATIVES AS ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-05-11 — — WO 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 L3MBTL1 3470/4885FFAR1 3753/4885OPRM1 528/4885

“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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