SCHEMBL11923253

SCHEMBL11923253

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.40
▸ FFAR1 O14842 1/20 0.39
▸ TACR1 P25103 1/20 0.38
▸ HTR2C P28335 2/20 0.38
▸ CCKAR P32238 1/20 0.38
▸ CHRNA1 P02708 1/20 0.37
▸ CHRNG P07510 1/20 0.37
▸ CHRNB1 P11230 1/20 0.37
▸ CHRNB2 P17787 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ CHRNB4 P30926 1/20 0.37
▸ CHRNA3 P32297 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ CHRND Q07001 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 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
SCHEMBL8267717 0.93 HTR2C (0.47) TACR1HTR2CCCKARHIF1AALDH1A1
SCHEMBL11923270 0.92 WDR5 (0.43) FFAR1HIF1AALDH1A1HPGDCYP1A2
SCHEMBL8267321 0.92 TACR1 (0.37) MAPTTACR1HTR2CCCKARNPC1
SCHEMBL8267649 0.92 MAPT (0.40) MAPTTACR1CCKARNPC1RAB9A
SCHEMBL8267731 0.91 GPBAR1 (0.43) MAPTTACR1HTR2CCCKARCHRNA1
SCHEMBL11923230 0.90 PTPN11 (0.40) MAPTTACR1HTR2CHIF1AALDH1A1
SCHEMBL11923211 0.89 TACR1 (0.39) MAPTTACR1HTR2CRAB9AALDH1A1
SCHEMBL11923265 0.89 TACR1 (0.41) TACR1HTR2CPOLBSMN1; SMN2
SCHEMBL11923185 0.88 HCRTR2 (0.36) FFAR1HTR2CCCKAR
SCHEMBL8267722 0.87 FFAR1 (0.39) MAPTFFAR1TACR1CCKARKDM4E

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 MAPT 1682/4885FFAR1 3753/4885TACR1 855/4885

“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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