SCHEMBL11923243

SCHEMBL11923243

COc1cccc(N(C(=O)c2cnc(N3CCCCC3)nc2-c2ccccc2F)C2CCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.39
▸ OPRM1 P35372 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TACR1 P25103 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ CCKAR P32238 1/20 0.37
▸ TRPM8 Q7Z2W7 1/20 0.37
▸ 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
▸ POLB P06746 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CAMK1D Q8IU85 1/20 0.35

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
SCHEMBL8266507 0.99 L3MBTL1 (0.39) FFAR1OPRM1MAPTTACR1L3MBTL1
SCHEMBL11923189 0.99 L3MBTL1 (0.39) FFAR1OPRM1MAPTTACR1L3MBTL1
SCHEMBL8267722 0.98 FFAR1 (0.39) FFAR1OPRM1MAPTTACR1L3MBTL1
SCHEMBL11923186 0.95 PDE4B (0.38) FFAR1OPRM1MAPTTACR1CCKAR
SCHEMBL8267732 0.93 ALDH1A1 (0.40) FFAR1L3MBTL1CYP1A2CYP3A4CYP2C9
SCHEMBL8266787 0.93 ALDH1A1 (0.41) FFAR1L3MBTL1CYP1A2CYP3A4CYP2C9
SCHEMBL11923277 0.92 ALDH1A1 (0.41) FFAR1CYP1A2CYP3A4CYP2C9ALOX15
SCHEMBL11923283 0.91 ALDH1A1 (0.42) FFAR1OPRM1L3MBTL1CYP1A2CYP3A4
SCHEMBL11923182 0.90 GPBAR1 (0.42) OPRM1MAPTTACR1L3MBTL1CCKAR
SCHEMBL11923292 0.90 ALDH1A1 (0.41) FFAR1L3MBTL1CYP1A2CYP3A4CYP2C9

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 FFAR1 3753/4885OPRM1 528/4885MAPT 1682/4885

“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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