SCHEMBL11923256

SCHEMBL11923256

CC(C)N(Cc1ccc(N2CCCC2)cc1)C(=O)c1cnc(N2CCC3CCCCC3C2)nc1-c1ccccc1F

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.37
▸ TACR1 P25103 1/20 0.36
▸ CAMK1D Q8IU85 4/20 0.34
▸ RORC P51449 2/20 0.33
▸ GPBAR1 Q8TDU6 2/20 0.33
▸ CTSL P07711 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ HCRTR1 O43613 2/20 0.32
▸ HCRTR2 O43614 2/20 0.32

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
SCHEMBL11923227 0.93 HSD17B10 (0.43) HSD17B10TACR1CAMK1DGPBAR1THRB
SCHEMBL8267812 0.89 TACR1 (0.42) JAK1HSD17B10TACR1RORCTHRB
SCHEMBL8267641 0.87 SSTR3 (0.39) TACR1
SCHEMBL13199159 0.87 TACR1 (0.37) HSD17B10TACR1
SCHEMBL11923272 0.86 WDR5 (0.39) HSD17B10TACR1CAMK1DHIF1A
SCHEMBL8266190 0.85 JAK1 (0.36) JAK1HSD17B10CAMK1DGPBAR1CTSL
SCHEMBL8267733 0.85 MCHR1 (0.38) HSD17B10TACR1CAMK1DHCRTR1HCRTR2
SCHEMBL11923244 0.83 HSD17B10 (0.48) HSD17B10TACR1THRB
SCHEMBL8266441 0.83 HSD17B10 (0.45) HSD17B10TACR1RORCTHRB
SCHEMBL8267651 0.81 CHRM2 (0.37) TACR1CAMK1DHCRTR1HCRTR2

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 JAK1 4869/4885HSD17B10 3366/4885TACR1 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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