SCHEMBL1362953

SCHEMBL1362953

CC(C)(C)c1ccc(C(OC2CCN(CCCC(=O)c3ccccc3)CC2)c2ccccc2)cc1

nearest known ligand 0.94

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 2/20 0.94
ADRA1A P35348 2/20 0.94
ADRA1B P35368 2/20 0.94
SLC6A4 P31645 2/20 0.94
SLC6A3 Q01959 2/20 0.94
NPC1 O15118 1/20 0.94
MLNR O43193 1/20 0.94
NR1I2 O75469 1/20 0.94
EGFR P00533 1/20 0.94
LMNA P02545 1/20 0.94
ERBB2 P04626 1/20 0.94
FYN P06241 1/20 0.94
CHRM2 P08172 1/20 0.94
CHRM4 P08173 1/20 0.94
ABCB1 P08183 1/20 0.94
ADRB1 P08588 1/20 0.94
HTR1A P08908 1/20 0.94
CHRM5 P08912 1/20 0.94
ADRA2A P08913 1/20 0.94
ADORA3 P0DMS8 1/20 0.94

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
Ebastine SCHEMBL18467 0.97 ADRA1D (1.00) ADRA1DADRA1AADRA1BSLC6A4SLC6A3
Ebastine SCHEMBL25205252 0.96 ADRA1D (0.98) ADRA1DADRA1AADRA1BSLC6A4SLC6A3
Ebastine SCHEMBL2546560 0.95 ADRA1D (0.96) ADRA1DADRA1AADRA1BSLC6A4SLC6A3
SCHEMBL12197484 0.94 CHRM2 (0.94) ADRA1DADRA1AADRA1BSLC6A4SLC6A3
Ebastine SCHEMBL2471948 0.93 ADRA1D (0.93) ADRA1DADRA1AADRA1BSLC6A4SLC6A3
Ebastine SCHEMBL25228349 0.93 DRD2 (0.93) ADRA1DADRA1AADRA1BSLC6A4SLC6A3
Ebastine SCHEMBL25207151 0.92 ADRA1D (0.91) ADRA1DADRA1AADRA1BSLC6A4SLC6A3
Ebastine SCHEMBL2475732 0.92 ADRA1D (0.91) ADRA1DADRA1AADRA1BSLC6A4SLC6A3
Ebastine SCHEMBL25199696 0.92 ADRA1D (0.91) ADRA1DADRA1AADRA1BSLC6A4SLC6A3
Ebastine SCHEMBL28531760 0.92 ADRA1D (0.91) ADRA1DADRA1AADRA1BSLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067604-B2 Process for production of carebastine ALBANY MOLECULAR RESEARCH, INC. (US) 2011-11-29 US disclosed
US-20110065923-A1 PROCESS FOR PRODUCTION OF CAREBASTINE ALBANY MOLECULAR RESEARCH, INC. (US) 2011-03-17 US disclosed
US-7858798-B2 metabolite of ebastine ALBANY MOLECULAR RESEARCH, INC. (US) 2010-12-28 US disclosed
US-20090137813-A1 PROCESS FOR PRODUCTION OF CAREBASTINE ALBANY MOLECULAR RESEARCH, INC. (US) 2009-05-28 US disclosed
US-7498443-B2 Process for production of carebastine ALBANY MOLECULAR RESEARCH, INC. (US) 2009-03-03 US disclosed
WO-2006034091-A2 PROCESS FOR PRODUCTION OF CAREBASTINE AMR TECHNOLOGY, INC. (US) 2006-03-30 WO disclosed
US-20060063933-A1 Process for production of carebastine AMR TECHNOLOGY, INC. (US) 2006-03-23 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 (3 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-20090137813-A1 PROCESS FOR PRODUCTION OF CAREBASTINE GABRE, GABRB3, GABRB2 ADRA1D 1305/4885ADRA1A 1947/4885ADRA1B 561/4885
US-20060063933-A1 Process for production of carebastine GABRE, GABRB3, GABRB2 ADRA1D 1305/4885ADRA1A 1947/4885ADRA1B 561/4885
US-20110065923-A1 PROCESS FOR PRODUCTION OF CAREBASTINE GABRE, GABRB3, GABRB2 ADRA1D 1305/4885ADRA1A 1947/4885ADRA1B 561/4885

“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.