SCHEMBL11923293

SCHEMBL11923293

CC(C)N(Cc1ccc(N2CCCC2)cc1)C(=O)c1cnc(N2CCCCC2)nc1-c1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ TACR1 P25103 1/20 0.41
▸ NR1H4 Q96RI1 1/20 0.38
▸ PSEN1 P49768 1/20 0.37
▸ PSEN2 P49810 1/20 0.37
▸ APH1B Q8WW43 1/20 0.37
▸ NCSTN Q92542 1/20 0.37
▸ APH1A Q96BI3 1/20 0.37
▸ PSENEN Q9NZ42 1/20 0.37
▸ CNR1 P21554 2/20 0.37
▸ RORC P51449 1/20 0.37
▸ CNR2 P34972 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ RAB9A P51151 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
SCHEMBL8266014 0.94 HSD17B10 (0.48) THRBHSD17B10TACR1PSEN1PSEN2
SCHEMBL11923246 0.91 THRB (0.42) JAK1THRBHSD17B10TACR1PSEN1
SCHEMBL8267812 0.90 TACR1 (0.42) JAK1THRBHSD17B10TACR1NR1H4
SCHEMBL2957864 0.87 THRB (0.48) THRBHSD17B10TACR1PSEN1PSEN2
SCHEMBL8266182 0.86 GAA (0.42) THRBHSD17B10TACR1PSEN1PSEN2
SCHEMBL11923199 0.85 WDR5 (0.43) HSD17B10TACR1LMNAMAPT
SCHEMBL11923244 0.83 HSD17B10 (0.48) THRBHSD17B10TACR1PSEN1PSEN2
SCHEMBL8266167 0.81 TACR1 (0.44) THRBHSD17B10TACR1PSEN1PSEN2
SCHEMBL8267708 0.80 GPBAR1 (0.43) TACR1CNR1CNR2SMN1; SMN2POLB
SCHEMBL11923256 0.80 JAK1 (0.38) JAK1THRBHSD17B10TACR1RORC

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 4869/4885THRB 2938/4885HSD17B10 3366/4885

“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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