SCHEMBL8917009

SCHEMBL8917009

CCC(=O)[C@@H](c1ccccc1)N1CCOCC1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.62
TSHR P16473 4/20 0.58
SMN1; SMN2 Q16637 2/20 0.56
HPGD P15428 1/20 0.56
LMNA P02545 4/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
GAA P10253 2/20 0.54
CYP3A4 P08684 3/20 0.53
CYP2C19 P33261 2/20 0.53
HIF1A Q16665 1/20 0.50

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
SCHEMBL18889507 1.00 ALDH1A1 (0.62) ALDH1A1TSHRSMN1; SMN2HPGDLMNA
SCHEMBL13187482 0.86 LMNA (0.65) ALDH1A1TSHRSMN1; SMN2HPGDLMNA
SCHEMBL8915944 0.86 LMNA (0.65) ALDH1A1TSHRSMN1; SMN2HPGDLMNA
SCHEMBL10151018 0.84 GAA (0.66) ALDH1A1TSHRSMN1; SMN2HPGDLMNA
SCHEMBL1706030 0.84 ALDH1A1 (0.73) ALDH1A1TSHRSMN1; SMN2HPGDLMNA
SCHEMBL627906 0.84 ALDH1A1 (0.73) ALDH1A1TSHRSMN1; SMN2HPGDLMNA
SCHEMBL12980740 0.83 CHRM1 (0.53) LMNAGAA
SCHEMBL8920685 0.83 CHRM1 (0.53) LMNAGAA
SCHEMBL8919299 0.83 ALDH1A1 (0.68) ALDH1A1TSHRSMN1; SMN2HPGDLMNA
SCHEMBL12174899 0.83 ALDH1A1 (0.68) ALDH1A1TSHRSMN1; SMN2HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2400846-B1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARM INC (US) 2016-10-05 EP disclosed
EP-2049522-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-05-14 EP disclosed
US-20130034520-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-07 US disclosed
US-20130004457-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2013-01-03 US disclosed
US-8329159-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-11 US disclosed
US-8303944-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed
US-8188132-B2 Linked dibenzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
US-20110268697-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-03 US disclosed
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-09 US disclosed
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 US disclosed
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-12 US disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 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 (7 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-20130034520-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ALDH1A1 1144/4885TSHR 4635/4885SMN1; SMN2 4352/4885
US-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ALDH1A1 1144/4885TSHR 4635/4885SMN1; SMN2 4352/4885
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS ALDH1A1 1144/4885TSHR 4635/4885SMN1; SMN2 4352/4885
US-20110268697-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ALDH1A1 1144/4885TSHR 4635/4885SMN1; SMN2 4352/4885
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 ALDH1A1 229/4885TSHR 4689/4885SMN1; SMN2 3298/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 ALDH1A1 287/4885TSHR 4730/4885SMN1; SMN2 3515/4885
US-20130004457-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ALDH1A1 1144/4885TSHR 4635/4885SMN1; SMN2 4352/4885

“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.