SCHEMBL2952189

SCHEMBL2952189

CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.48
▸ HSD17B10 Q99714 7/20 0.47
▸ ALDH1A1 P00352 7/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ TACR1 P25103 1/20 0.43
▸ PTPN11 Q06124 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CYP1A2 P05177 7/20 0.40
▸ CYP2C19 P33261 5/20 0.40
▸ USP2 O75604 4/20 0.40
▸ CASP1 P29466 4/20 0.40
▸ CASP7 P55210 4/20 0.40
▸ HIF1A Q16665 4/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ PSEN1 P49768 1/20 0.40
▸ PSEN2 P49810 1/20 0.40
▸ APH1B Q8WW43 1/20 0.40
▸ NCSTN Q92542 1/20 0.40

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
Hydrochloric Acid SCHEMBL2960113 0.99 THRB (0.47) THRBHSD17B10ALDH1A1KDM4ETACR1
SCHEMBL8266178 0.92 TACR1 (0.43) THRBHSD17B10ALDH1A1KDM4ETACR1
SCHEMBL8265882 0.92 TACR1 (0.43) THRBHSD17B10ALDH1A1KDM4ETACR1
SCHEMBL11923244 0.91 HSD17B10 (0.48) THRBHSD17B10TACR1PTPN11MEN1
SCHEMBL8267714 0.90 TACR1 (0.53) HSD17B10ALDH1A1TACR1MEN1KMT2A
SCHEMBL11923215 0.90 ALDH1A1 (0.47) THRBHSD17B10ALDH1A1TACR1MEN1
SCHEMBL2957864 0.90 THRB (0.48) THRBHSD17B10ALDH1A1KDM4ETACR1
SCHEMBL8267657 0.90 HSD17B10 (0.51) THRBHSD17B10TACR1PTPN11MEN1
SCHEMBL8267765 0.89 RORC (0.47) HSD17B10TACR1PTPN11MEN1KMT2A
SCHEMBL11923241 0.88 PIK3CA (0.40) THRBHSD17B10ALDH1A1KDM4ETACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130345208-A1 ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-12-26 — — US disclosed
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-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-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-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-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
US-20100184753-A1 Ion Channel Modulators and Methods of Uses VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-22 — — US disclosed
EP-1809290-A2 PYRIMIDINE DERIVATIVES AS ION CHANNEL MODULATORS AND METHODS OF USE Vertex Pharmaceuticals Incorporated (US) 2007-07-25 — — EP disclosed
US-20060160817-A1 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED 2006-07-20 — — US disclosed
WO-2006050476-A2 PYRIMIDINE DERIVATIVES AS ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-05-11 — — WO 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 (3 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-20060160817-A1 Ion channel modulators and methods of use CACNA1G, CACNA1C, CACNA1B THRB 2759/4885HSD17B10 3453/4885ALDH1A1 3619/4885
US-20100184753-A1 Ion Channel Modulators and Methods of Uses CACNA1G, CACNA1C, CACNA1B THRB 2938/4885HSD17B10 3366/4885ALDH1A1 3514/4885
US-20130345208-A1 ION CHANNEL MODULATORS AND METHODS OF USE CACNA1B, TRPV1, CACNA1C THRB 3640/4885HSD17B10 4151/4885ALDH1A1 2912/4885

“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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