SCHEMBL8267739

SCHEMBL8267739

CC(C)N(C(=O)c1cnc(N2CCCCC2)nc1-c1ccccc1F)c1ccc2c(c1)OCCO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ PKM P14618 2/20 0.36
▸ MT-CO1 P00395 1/20 0.36
▸ CCKAR P32238 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ OGA O60502 3/20 0.35
▸ POLB P06746 1/20 0.35
▸ HTR2C P28335 1/20 0.34
▸ AKT1 P31749 1/20 0.34
▸ AKT2 P31751 1/20 0.34
▸ AKT3 Q9Y243 1/20 0.34

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
SCHEMBL8267189 0.95 OGA (0.39) TACR1SMN1; SMN2ALDH1A1OGAPOLB
SCHEMBL11923212 0.93 PIK3CA (0.38) TACR1SMN1; SMN2HSD17B10LMNAMAPT
SCHEMBL8266903 0.89 OGA (0.38) TACR1MEN1KMT2AOGATSHR
SCHEMBL11923264 0.88 MAPT (0.35) TACR1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL11923230 0.87 PTPN11 (0.40) TACR1SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL13199216 0.86 TACR1 (0.42) TACR1MEN1KMT2AHSD17B10LMNA
SCHEMBL11923211 0.85 TACR1 (0.39) TACR1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL11923265 0.85 TACR1 (0.41) TACR1SMN1; SMN2MEN1KMT2ACNR2
SCHEMBL8267649 0.84 MAPT (0.40) TACR1SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL11923188 0.83 TACR1 (0.41) TACR1SMN1; SMN2POLBHTR2CAKT1

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 9 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-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
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 (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 TACR1 855/4885SMN1; SMN2 1668/4885MEN1 3191/4885

“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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