SCHEMBL5371740

SCHEMBL5371740

CC(=O)N[C@@H](Cc1ccc(C)c(F)c1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 3/20 0.53
▸ ITGA2B P08514 3/20 0.53
▸ LMNA P02545 2/20 0.50
▸ ITGB1 P05556 4/20 0.48
▸ ITGA4 P13612 3/20 0.48
▸ KMT2A Q03164 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ TNF P01375 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ PPARG P37231 1/20 0.43
▸ TACR1 P25103 3/20 0.43
▸ ACE P12821 1/20 0.43
▸ ALB P02768 1/20 0.43
▸ IL2 P60568 1/20 0.43
▸ ITGAV P06756 1/20 0.42
▸ ITGB5 P18084 1/20 0.42
▸ PTPN1 P18031 1/20 0.42

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
SCHEMBL5371743 1.00 ITGB3 (0.53) ITGB3ITGA2BLMNAITGB1ITGA4
SCHEMBL5367697 1.00 ITGB3 (0.53) ITGB3ITGA2BLMNAITGB1ITGA4
SCHEMBL5363563 0.89 LMNA (0.50) ITGB3ITGA2BLMNAITGB1ITGA4
SCHEMBL5371336 0.89 LMNA (0.50) ITGB3ITGA2BLMNAITGB1ITGA4
SCHEMBL5371339 0.89 LMNA (0.50) ITGB3ITGA2BLMNAITGB1ITGA4
SCHEMBL5369184 0.88 LMNA (0.52) ITGB3ITGA2BLMNAITGB1ITGA4
SCHEMBL6133113 0.87 LMNA (0.53) ITGB3ITGA2BLMNAITGB1ITGA4
SCHEMBL6133112 0.87 LMNA (0.53) ITGB3ITGA2BLMNAITGB1ITGA4
SCHEMBL6774753 0.86 TACR1 (0.49) ITGB3ITGA2BLMNAKMT2AL3MBTL1
SCHEMBL3746933 0.82 ITGB3 (0.49) ITGB3ITGA2BLMNAITGB1ITGA4

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 ITGB3 2056/4885ITGA2B 2623/4885LMNA 2980/4885
US-20070123532-A1 PIPERAZINE DERIVATIVES PKD2, SSTR5, IL5 ITGB3 4094/4885ITGA2B 4038/4885LMNA 3655/4885

“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.

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