SCHEMBL8915286

SCHEMBL8915286

CCC(=O)Cc1ccccc1CN(C)C

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.41
SLC6A4 P31645 8/20 0.41
SLC6A3 Q01959 6/20 0.41
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
IAPP P10997 1/20 0.38
HSD11B1 P28845 1/20 0.37

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
SCHEMBL21100152 0.86 IAPP (0.46) ALDH1A1IAPPHSD11B1
SCHEMBL29210932 0.82 GABRA1 (0.44) ALDH1A1IAPPHSD11B1
SCHEMBL890118 0.81 L3MBTL1 (0.46) SLC6A2SLC6A4SLC6A3TSHRALDH1A1
SCHEMBL753112 0.81 AKR1B1 (0.55) SLC6A2SLC6A4SLC6A3TSHRALDH1A1
SCHEMBL26564933 0.79 L3MBTL1 (0.47) ALDH1A1LMNAIAPPHSD11B1
SCHEMBL888636 0.78 CYP1A2 (0.42) SLC6A2SLC6A4SLC6A3TSHRALDH1A1
SCHEMBL8083911 0.78 GABRA1 (0.47) TSHRALDH1A1IAPPHSD11B1
Alcohol SCHEMBL28875867 0.78 SLC6A4 (0.53) SLC6A2SLC6A4SLC6A3TSHRALDH1A1
SCHEMBL12188870 0.78 SLC6A4 (0.48) SLC6A2SLC6A4SLC6A3TSHRALDH1A1
SCHEMBL125255 0.77 ALDH1A1 (0.57) SLC6A2SLC6A4SLC6A3TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
US-8188132-B2 Linked dibenzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
WO-2012021704-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2012-02-16 WO disclosed
WO-2011127350-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-10-13 WO disclosed
WO-2011091417-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-07-28 WO disclosed
WO-2011081918-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC (US) 2011-07-07 WO disclosed
WO-2011031904-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC (US) 2011-03-17 WO disclosed
WO-2011031934-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-03-17 WO 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
WO-2010099527-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2010-09-02 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 (2 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-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 SLC6A2 3359/4885SLC6A4 2978/4885SLC6A3 2011/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 SLC6A2 3736/4885SLC6A4 3641/4885SLC6A3 2903/4885

“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.