SCHEMBL993093

SCHEMBL993093

CC(C)(C(=O)O)c1ccc(CCN2CCC(c3nc4ccccc4[nH]3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 5/20 0.55
PARP1 P09874 1/20 0.50
PAX8 Q06710 1/20 0.49
CHRNA7 P36544 1/20 0.49
HRH1 P35367 1/20 0.48
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
KCNH2 Q12809 1/20 0.46
TACR2 P21452 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
SCHEMBL14916479 0.90 KCNH2 (0.51) HTR2BPARP1CHRNA7HRH1POLB
SCHEMBL28562183 0.89 HRH1 (0.49) HTR2BPARP1PAX8CHRNA7HRH1
SCHEMBL992242 0.88 HTR2B (0.58) HTR2BPARP1CHRNA7HRH1MAPT
SCHEMBL13624817 0.80 HRH1 (0.58) HTR2BPARP1HRH1POLBKCNH2
SCHEMBL28050009 0.80 HTR2B (0.49) HTR2BPARP1CHRNA7HRH1POLB
SCHEMBL28562199 0.79 POLB (0.52) HTR2BPARP1CHRNA7POLBMAPT
SCHEMBL662101 0.79 PARP1 (0.64) HTR2BPARP1CHRNA7KCNH2
SCHEMBL4653613 0.78 HRH1 (0.63) HRH1POLBKCNH2TACR2
SCHEMBL6776647 0.78 ADRA1D (0.53) POLBKCNH2
SCHEMBL21815504 0.78 HTR2B (0.47) HTR2BPARP1CHRNA7HRH1POLB

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
CN-112110893-A Preparation method of bilastine 山东齐环医药科技有限公司 2020-12-22 CN claimed
CN-110903278-B Preparation method of bilastine 山东罗欣药业集团恒欣药业有限公司 2022-08-16 CN disclosed
CN-112110893-A Preparation method of bilastine 山东齐环医药科技有限公司 2020-12-22 CN disclosed
CN-112110893-A Preparation method of bilastine 山东齐环医药科技有限公司 2020-12-22 CN disclosed
US-8633223-B2 Process for preparation of 2-methyl-2′-phenylpropionic acid derivatives and novel intermediate compounds YUHAN CORPORATION (KR) 2014-01-21 US disclosed
US-8487106-B2 Process for preparation of 2-methyl-2′-phenylpropionic acid derivatives and novel intermediate compounds YUHAN CORPORATION (KR) 2013-07-16 US disclosed
US-20130116439-A1 PROCESS FOR PREPARATION OF 2-METHYL-2'-PHENYLPROPIONIC ACID DERIVATIVES AND NOVEL INTERMEDIATE COMPOUNDS YUHAN CORPORATION (KR) 2013-05-09 US disclosed
US-20130116466-A1 PROCESS FOR PREPARATION OF 2-METHYL-2'-PHENYLPROPIONIC ACID DERIVATIVES AND NOVEL INTERMEDIATE COMPOUNDS YUHAN CORPORATION (KR) 2013-05-09 US disclosed
US-8367704-B2 Process for preparation of 2-methyl-2′ phenylpropionic acid derivatives and novel intermediate compounds YUHAN CORPORATION (KR) 2013-02-05 US disclosed
US-20110009636-A1 PROCESS FOR THE PREPARATION OF 2-METHYL-2'-PHENYLPROPIONIC ACID DERIVATIVES AND NOVEL INTERMEDIATE COMPOUNDS YUHAN CORPORATION (KP) 2011-01-13 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-20110009636-A1 PROCESS FOR THE PREPARATION OF 2-METHYL-2'-PHENYLPROPIONIC ACID DERIVATIVES AND NOVEL INTERMEDIATE COMPOUNDS HRH4, HCAR2, HRH1 HTR2B 63/4885PARP1 1037/4885PAX8 3414/4885
US-20130116439-A1 PROCESS FOR PREPARATION OF 2-METHYL-2'-PHENYLPROPIONIC ACID DERIVATIVES AND NOVEL INTERMEDIATE COMPOUNDS HRH2, HRH4, HNMT HTR2B 46/4885PARP1 644/4885PAX8 4315/4885
US-20130116466-A1 PROCESS FOR PREPARATION OF 2-METHYL-2'-PHENYLPROPIONIC ACID DERIVATIVES AND NOVEL INTERMEDIATE COMPOUNDS HRH1, HRH2, HRH4 HTR2B 45/4885PARP1 983/4885PAX8 3753/4885

“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.