SCHEMBL5363300

SCHEMBL5363300

COc1cc(CCl)ccc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.49
MBOAT4 Q96T53 2/20 0.44
HTR2A P28223 4/20 0.42
HTR2C P28335 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
CA2 P00918 1/20 0.41
ALDH1A1 P00352 3/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
AR P10275 1/20 0.39
PDE7A Q13946 1/20 0.39
PDE3A Q14432 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL31435397 0.86 TTR (0.49) TTRHTR2AHTR2CCA2ALDH1A1
SCHEMBL2023009 0.86 TTR (0.49) TTRHTR2AHTR2CCA2ALDH1A1
SCHEMBL29660954 0.84 TTR (0.50) TTRHTR2ACA2ALDH1A1PPARG
SCHEMBL12828086 0.84 PTGS2 (0.47) MBOAT4HTR2AHTR2CMRGPRX4CA2
SCHEMBL21218917 0.84 TTR (0.50) TTRHTR2ACA2ALDH1A1PPARG
SCHEMBL25356912 0.82 HTR2A (0.50) MBOAT4HTR2AHTR2CMRGPRX4CA2
SCHEMBL5371918 0.82 AR (0.54) TTRMBOAT4HTR2AHTR2CMRGPRX4
SCHEMBL29277354 0.82 ALDH1A1 (0.43) MBOAT4HTR2AHTR2CMRGPRX4CA2
SCHEMBL15229537 0.82 MBOAT4 (0.43) MBOAT4HTR2AHTR2CMRGPRX4CA2
SCHEMBL30242156 0.82 MBOAT4 (0.43) MBOAT4HTR2AHTR2CMRGPRX4CA2

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-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
EP-1140924-A1 PIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed
WO-2000035915-A1 PIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-06-22 WO 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 TTR 581/4885MBOAT4 3215/4885HTR2A 62/4885
US-20070123532-A1 PIPERAZINE DERIVATIVES PKD2, SSTR5, IL5 TTR 1220/4885MBOAT4 4051/4885HTR2A 66/4885

“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.