SCHEMBL5367132

SCHEMBL5367132

COCCOCOc1cc(/C=C2/NC(=O)CN(C(C)=O)C2=O)ccc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.52
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 4/20 0.36
GAA P10253 2/20 0.36
LMNA P02545 1/20 0.36
F2 P00734 1/20 0.35
ELANE P08246 1/20 0.35
RARG P13631 3/20 0.35
RARA P10276 3/20 0.34
MAPT P10636 1/20 0.34
IKBKB O14920 1/20 0.34
DYRK2 Q92630 1/20 0.34
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
RARB P10826 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
SCHEMBL5367135 1.00 HRH3 (0.52) HRH3MEN1KMT2AALDH1A1GAA
SCHEMBL6132674 0.84 KMT2A (0.52) HRH3MEN1KMT2AALDH1A1GAA
SCHEMBL6132671 0.84 KMT2A (0.52) HRH3MEN1KMT2AALDH1A1GAA
SCHEMBL5371735 0.73 MEN1 (0.48) HRH3MEN1KMT2AALDH1A1GAA
SCHEMBL5371732 0.73 MEN1 (0.48) HRH3MEN1KMT2AALDH1A1GAA
SCHEMBL8411263 0.72 HRH3 (0.64) HRH3MEN1KMT2AALDH1A1DYRK2
SCHEMBL8411264 0.72 HRH3 (0.64) HRH3MEN1KMT2AALDH1A1DYRK2
SCHEMBL8573167 0.72 HRH3 (0.64) HRH3MEN1KMT2AALDH1A1DYRK2
SCHEMBL8428812 0.71 HRH3 (0.69) HRH3MEN1KMT2AALDH1A1MAPT
SCHEMBL8425009 0.71 HRH3 (0.71) HRH3MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070123532-A1 PIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2007-05-31 US disclosed
US-7166598-B2 e.g 1-[3,5-bis(trifluoromethyl)benzoyl]-2-[3-[(2-methoxyethoxy)-methoxy]-4-methylbenzyl]-4-[2-[(3R)-3-methoxymethyl-morpholino]ethyl]piperazine; treating or preventing Tachykinin-mediated diseases such as asthma, emesis, an anxiety disorder, pollakiuria, urinary incontinence and irritable bowel syndrome ASTELLAS PHARMA INC. (JP) 2007-01-23 US disclosed
EP-1140924-B1 PIPERAZINE DERIVATIVES ASTELLAS PHARMA INC (JP) 2006-03-22 EP disclosed
US-20060014948-A1 e.g 1-[3,5-bis(trifluoromethyl)benzoyl]-2-[3-[(2-methoxyethoxy)-methoxy]-4-methylbenzyl]-4-[2-[(3R)-3-methoxymethyl-morpholino]ethyl]piperazine; treating or preventing Tachykinin-mediated diseases in humans or animals FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2006-01-19 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 (2 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-20060014948-A1 e.g 1-[3,5-bis(trifluoromethyl)benzoyl]-2-[3-[(2-methoxyethoxy)-methoxy]-4-methylbenzyl]-4-[2-[(3R)-3-methoxymethyl-morpholino]ethyl]piperazine; treating or preventing Tachykinin-mediated diseases in humans or animals PKD2, TAC3, PKD1 HRH3 522/4885MEN1 519/4885KMT2A 709/4885
US-20070123532-A1 PIPERAZINE DERIVATIVES PKD2, SSTR5, IL5 HRH3 474/4885MEN1 954/4885KMT2A 1454/4885

“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.