SCHEMBL1316739

SCHEMBL1316739

C[C@@H](c1ccccc1)[C@](C(=O)O)(c1ccccc1F)N1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
HIF1A Q16665 1/20 0.38
LMNA P02545 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
OPRK1 P41145 1/20 0.35
CYP2B6 P20813 1/20 0.35
KCNN4 O15554 2/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
PKM P14618 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
SCHEMBL1316741 1.00 GAA (0.38) GAAHIF1ALMNAKMT2AMEN1
SCHEMBL5569888 0.71 KCNN4 (0.41) GAALMNAKMT2AMEN1ALDH1A1
SCHEMBL1315351 0.69 MEN1 (0.46) GAAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL304619 0.69 MEN1 (0.46) GAAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL1758987 0.69 MEN1 (0.46) GAAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL305198 0.69 MEN1 (0.46) GAAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL580033 0.68 OPRM1 (0.39) ALDH1A1OPRK1CYP1A2CYP2C9MAPK1
SCHEMBL305263 0.68 OPRM1 (0.39) ALDH1A1OPRK1CYP1A2CYP2C9MAPK1
SCHEMBL305262 0.68 OPRM1 (0.39) ALDH1A1OPRK1CYP1A2CYP2C9MAPK1
SCHEMBL304095 0.67 OPRL1 (0.53) OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2499132-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-02-15 EP disclosed
EP-2049114-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-10-01 EP disclosed
US-8492553-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-23 US disclosed
US-20120328570-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2012-12-27 US disclosed
US-20110274648-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-10 US disclosed
US-20110268697-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-03 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 (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-20120328570-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS GAA 223/4885HIF1A 4316/4885LMNA 3159/4885
US-20110268697-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS GAA 223/4885HIF1A 4316/4885LMNA 3159/4885
US-20110274648-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS GAA 223/4885HIF1A 4316/4885LMNA 3159/4885

“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.