SCHEMBL8908149

SCHEMBL8908149

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
HTR2A P28223 1/20 0.45
HRH1 P35367 1/20 0.45
KCNH2 Q12809 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
TRPM8 Q7Z2W7 1/20 0.42
NR1H2 P55055 4/20 0.42
NR1H3 Q13133 4/20 0.42
OPRD1 P41143 1/20 0.40
MAPT P10636 3/20 0.40
KCNQ2 O43526 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
HSP90AA1 P07900 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39

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
SCHEMBL22361551 1.00 PGR (0.45) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL8910235 0.85 OPRM1 (0.43) SMN1; SMN2TRPM8NR1H2NR1H3OPRD1
SCHEMBL2683020 0.82 PGR (0.50) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL629045 0.82 PGR (0.50) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL30337118 0.82 PGR (0.50) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL890238 0.80 PGR (0.49) PGRADRA2AADRA2BHTR2AHRH1
Hydrochloric Acid SCHEMBL627946 0.80 PGR (0.49) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL14816808 0.80 PGR (0.49) PGRADRA2AADRA2BHTR2AHRH1
Hydrochloric Acid SCHEMBL901698 0.80 PGR (0.49) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL8905685 0.80 ALDH1A1 (0.50) SMN1; SMN2TRPM8MAPTLMNACYP2D6

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-10752611-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2020-08-25 US disclosed
US-8673954-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-03-18 US disclosed
US-8637561-B2 Linked diimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-01-28 US disclosed
US-20130295049-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC (US) 2013-11-07 US disclosed
US-8188132-B2 Linked dibenzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2012-03-29 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-20100215618-A1 NOVEL COMPOUNDS - 644 ARROW THERAPEUTICS LIMITED (GB) 2010-08-26 US disclosed
US-20100215618-A1 NOVEL COMPOUNDS - 644 ARROW THERAPEUTICS LIMITED (GB) 2010-08-26 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 (6 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-20100215618-A1 NOVEL COMPOUNDS - 644 NR1H4, HAVCR2, CYP3A4 PGR 1601/4885ADRA2A 937/4885ADRA2B 483/4885
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 PGR 2122/4885ADRA2A 4222/4885ADRA2B 3523/4885
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 PGR 2223/4885ADRA2A 4516/4885ADRA2B 4053/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 PGR 2641/4885ADRA2A 4552/4885ADRA2B 4041/4885
US-20130295049-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, NSUN2 PGR 2851/4885ADRA2A 4600/4885ADRA2B 4152/4885
US-10752611-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L PGR 1906/4885ADRA2A 4102/4885ADRA2B 3336/4885

“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.