SCHEMBL8919299

SCHEMBL8919299

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

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.68
TSHR P16473 4/20 0.59
LMNA P02545 3/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
CYP3A4 P08684 3/20 0.57
CYP2C19 P33261 2/20 0.57
GAA P10253 2/20 0.54
HIF1A Q16665 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
HPGD P15428 1/20 0.53
KCNA5 P22460 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
SCHEMBL12174899 1.00 ALDH1A1 (0.68) ALDH1A1TSHRLMNAL3MBTL1CYP3A4
SCHEMBL1706030 0.88 ALDH1A1 (0.73) ALDH1A1TSHRLMNAL3MBTL1CYP3A4
SCHEMBL627906 0.88 ALDH1A1 (0.73) ALDH1A1TSHRLMNAL3MBTL1CYP3A4
Hydrochloric Acid SCHEMBL15063255 0.86 ALDH1A1 (0.77) ALDH1A1TSHRLMNAL3MBTL1CYP3A4
Hydrochloric Acid SCHEMBL8090062 0.86 LMNA (0.59) ALDH1A1TSHRLMNAL3MBTL1CYP3A4
SCHEMBL10076713 0.84 LMNA (0.71) ALDH1A1TSHRLMNACYP3A4CYP2C19
SCHEMBL10299128 0.84 LMNA (0.71) ALDH1A1TSHRLMNACYP3A4CYP2C19
SCHEMBL888796 0.84 ALDH1A1 (0.64) ALDH1A1TSHRLMNAL3MBTL1CYP3A4
SCHEMBL8103107 0.84 ADRB2 (0.62) ALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL19334158 0.84 ALDH1A1 (0.64) ALDH1A1TSHRLMNAL3MBTL1CYP3A4

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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 US disclosed
US-9765087-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-09-19 US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
US-9676802-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 US disclosed
US-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARM INC (US) 2017-04-27 US disclosed
US-20160311778-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2016-10-27 US disclosed
US-9421192-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-23 US disclosed
US-20160067223-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-03-10 US disclosed
US-9156818-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-10-13 US disclosed
US-9127021-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-09-08 US disclosed
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-16 US disclosed
US-20100226882-A1 LINKED DIIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2010-09-09 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-20100221216-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-09-02 US disclosed
US-20100221215-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 US disclosed
US-20100158862-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-06-24 US disclosed
US-20100080772-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-04-01 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 (14 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-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 ALDH1A1 201/4885TSHR 4648/4885LMNA 3064/4885
US-20100226882-A1 LINKED DIIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, MAVS ALDH1A1 241/4885TSHR 4694/4885LMNA 2380/4885
US-20160067223-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ALDH1A1 1144/4885TSHR 4635/4885LMNA 3159/4885
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 ALDH1A1 201/4885TSHR 4648/4885LMNA 3064/4885
US-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ALDH1A1 1144/4885TSHR 4635/4885LMNA 3159/4885
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS ALDH1A1 1144/4885TSHR 4635/4885LMNA 3159/4885
US-20100221215-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 ALDH1A1 287/4885TSHR 4730/4885LMNA 2724/4885
US-20100080772-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ALDH1A1 1144/4885TSHR 4635/4885LMNA 3159/4885
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 ALDH1A1 229/4885TSHR 4689/4885LMNA 2096/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 ALDH1A1 287/4885TSHR 4730/4885LMNA 2724/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS ALDH1A1 1144/4885TSHR 4635/4885LMNA 3159/4885
US-20100221216-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 ALDH1A1 365/4885TSHR 4687/4885LMNA 2800/4885
US-20160311778-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ALDH1A1 1144/4885TSHR 4635/4885LMNA 3159/4885
US-20100158862-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ALDH1A1 1144/4885TSHR 4635/4885LMNA 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.