SCHEMBL8908352

SCHEMBL8908352

C[C@@H](C(=O)C(C)(C)C)N(C)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
SLC6A2 P23975 1/20 0.50
HTR2A P28223 1/20 0.50
SLC6A4 P31645 1/20 0.50
ADRA1A P35348 1/20 0.50
OPRK1 P41145 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KCNH2 Q12809 1/20 0.50
RIPK1 Q13546 2/20 0.47
HPGD P15428 1/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ATM Q13315 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL3050394 0.86 MEN1 (0.49) MEN1KMT2AADRA2BADRA2CSLC6A2
SCHEMBL8907476 0.84 ADRA2B (0.47) MEN1KMT2AADRA2BADRA2CSLC6A2
SCHEMBL40674 0.82 KMT2A (0.57) MEN1KMT2AADRA2BADRA2CSLC6A2
SCHEMBL3054171 0.82 KMT2A (0.57) MEN1KMT2AADRA2BADRA2CSLC6A2
SCHEMBL7144646 0.82 KMT2A (0.57) MEN1KMT2AADRA2BADRA2CSLC6A2
SCHEMBL3046151 0.81 MEN1 (0.48) MEN1KMT2AADRA2BADRA2CSLC6A2
SCHEMBL9267301 0.81 KMT2A (0.56) MEN1KMT2AADRA2BADRA2CSLC6A2
Hydrochloric Acid SCHEMBL29247750 0.81 KMT2A (0.56) MEN1KMT2AADRA2BADRA2CSLC6A2
SCHEMBL890170 0.81 KMT2A (0.56) MEN1KMT2AADRA2BADRA2CSLC6A2
SCHEMBL8895465 0.80 MEN1 (0.44) MEN1KMT2AADRA2BADRA2CSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9127021-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-09-08 US disclosed
US-9127021-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-09-08 US disclosed
US-8637561-B2 Linked diimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-01-28 US disclosed
US-8637561-B2 Linked diimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-01-28 US disclosed
US-8188132-B2 Linked dibenzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
US-20110300104-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-12-08 US disclosed
US-20110250172-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-10-13 US disclosed
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-06-16 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20110300104-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 MEN1 4782/4885KMT2A 2957/4885ADRA2B 3763/4885
US-20110250172-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 MEN1 4782/4885KMT2A 2957/4885ADRA2B 3763/4885
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 MEN1 4782/4885KMT2A 2957/4885ADRA2B 3763/4885
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 MEN1 4836/4885KMT2A 2844/4885ADRA2B 4053/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 MEN1 4801/4885KMT2A 2014/4885ADRA2B 4041/4885

“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.