SCHEMBL890252

SCHEMBL890252

Cc1ccc2cc(C(C)C)[nH]c2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
CCR1 P32246 1/20 0.37
RAB9A P51151 1/20 0.37
CCR5 P51681 1/20 0.37
CYP1A2 P05177 2/20 0.35
ADORA2A P29274 6/20 0.34
ADORA1 P30542 6/20 0.34
KDM4E B2RXH2 2/20 0.34
KMT2A Q03164 2/20 0.34
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
DHFR P00374 1/20 0.33
SLC2A1 P11166 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL12771439 0.81 TSHR (0.36) TSHRDHFRSLC2A1
SCHEMBL13188091 0.79 TSHR (0.35) TSHRDHFRSLC2A1
SCHEMBL13188053 0.79 TSHR (0.35) TSHRDHFRSLC2A1
SCHEMBL12938123 0.77 TSHR (0.37) TSHRDHFRSLC2A1
SCHEMBL12810154 0.77 TSHR (0.34) TSHRDHFRSLC2A1
SCHEMBL19131827 0.76 TSHR (0.35) TSHRDHFRSLC2A1
SCHEMBL890081 0.75 CCR1 (0.42) CCR1RAB9ACCR5CYP1A2ADORA2A
SCHEMBL29542961 0.75 TSHR (0.42) TSHRALDH1A1
SCHEMBL13561504 0.73 CYP1A2 (0.40) TSHRRAB9ACYP1A2ADORA2AADORA1
SCHEMBL2981817 0.72 DAO (0.49)

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-20250230157-A1 AZABENZIMIDAZOLES AND THEIR USE AS AMPA RECEPTOR MODULATORS RAPPORT THERAPEUTICS, INC. 2025-07-17 US disclosed
US-8221737-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-07-17 US disclosed
US-20120076755-A1 Hepatitis C Virus Inhibitors ENANTA PHARMACEUTICALS, INC. 2012-03-29 US disclosed
US-20120039848-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2012-02-16 US disclosed
US-20110189129-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-08-04 US disclosed
US-20110070196-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-24 US disclosed
US-20110064695-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 US disclosed
US-20110064698-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 US disclosed
US-20110008288-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-01-13 US disclosed
US-20100316607-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-12-16 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 (9 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-20120039848-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 TSHR 4687/4885CCR1 140/4885RAB9A 3036/4885
US-20100316607-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 TSHR 4687/4885CCR1 140/4885RAB9A 3036/4885
US-20110189129-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, NSUN2 TSHR 4720/4885CCR1 285/4885RAB9A 2099/4885
US-20110008288-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 TSHR 4687/4885CCR1 140/4885RAB9A 3036/4885
US-20110070196-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 TSHR 4674/4885CCR1 165/4885RAB9A 3060/4885
US-20110064698-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 TSHR 4674/4885CCR1 165/4885RAB9A 3060/4885
US-20110064695-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 TSHR 4674/4885CCR1 165/4885RAB9A 3060/4885
US-20120076755-A1 Hepatitis C Virus Inhibitors NSUN2, HCCS, HAVCR2 TSHR 4717/4885CCR1 257/4885RAB9A 2060/4885
US-20250230157-A1 AZABENZIMIDAZOLES AND THEIR USE AS AMPA RECEPTOR MODULATORS GRIN1, GRIN2B, GRIN3A TSHR 651/4885CCR1 3713/4885RAB9A 3746/4885

“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.