SCHEMBL992242

SCHEMBL992242

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

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.58
HRH1 P35367 1/20 0.57
CHRNA7 P36544 1/20 0.52
KCNH2 Q12809 2/20 0.51
PKM P14618 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PARP1 P09874 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
SCHEMBL8296045 0.89 HTR2B (0.73) HTR2BALDH1A1LMNAMAPTHTT
SCHEMBL993093 0.88 HTR2B (0.55) HTR2BHRH1CHRNA7KCNH2MAPT
SCHEMBL14916479 0.85 KCNH2 (0.51) HTR2BHRH1CHRNA7KCNH2ALDH1A1
SCHEMBL28050009 0.85 HTR2B (0.49) HTR2BHRH1CHRNA7KCNH2PKM
SCHEMBL28562183 0.85 HRH1 (0.49) HTR2BHRH1CHRNA7KCNH2MAPT
SCHEMBL21815504 0.82 HTR2B (0.47) HTR2BHRH1CHRNA7KCNH2PKM
SCHEMBL662101 0.82 PARP1 (0.64) HTR2BCHRNA7KCNH2ALDH1A1NPSR1
SCHEMBL9397015 0.80 HRH1 (0.51) HTR2BHRH1CHRNA7KCNH2SIGMAR1
SCHEMBL28562199 0.78 POLB (0.52) HTR2BCHRNA7KCNH2ALDH1A1MAPT
SCHEMBL17888861 0.78 HTR2B (0.62) HTR2BCHRNA7PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2240464-A2 PROCESS FOR PREPARATION OF 2-METHYL-2´-PHENYLPROPIONIC ACID DERIVATIVES AND NOVEL INTERMEDIATE COMPOUNDS Yuhan Corporation (KR) 2010-10-20 EP disclosed
WO-2009102155-A2 PROCESS FOR PREPARATION OF 2-METHYL-2´-PHENYLPROPIONIC ACID DERIVATIVES AND NOVEL INTERMEDIATE COMPOUNDS YUHAN CORPORATION (KR) 2009-08-20 WO disclosed
EP-0580541-B1 Piperidine derivatives of benzimidazole as antihistaminic and antiallergic agents ESPANOLA PROD QUIMICOS (ES) 1999-10-06 EP disclosed
US-5322850-A Antiallergic piperidine derivatives of benzimidazole FABRICA ESPANOLA DE PRODUCTOS QUIMICOS Y FARMACEUTICOS, S.A. (ES) 1994-06-21 US disclosed
EP-0580541-A1 New piperidine derivatives of benzimidazole as antihistanminic and antiallergic agents FABRICA ESPANOLA DE PRODUCTOS QUIMICOS Y FARMACEUTICOS, S.A. (FAES) (ES) 1994-01-26 EP 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 (1 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 63/4885HRH1 3/4885CHRNA7 128/4885

“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.