SCHEMBL5363563

SCHEMBL5363563

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.50
▸ ITGB3 P05106 2/20 0.50
▸ ITGA2B P08514 2/20 0.50
▸ ITGB1 P05556 4/20 0.48
▸ ITGA4 P13612 2/20 0.48
▸ TNF P01375 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.43
▸ TACR1 P25103 2/20 0.43
▸ ACE P12821 1/20 0.43
▸ MME P08473 1/20 0.43
▸ ITGAV P06756 1/20 0.42
▸ ITGB5 P18084 1/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ ITGA5 P08648 1/20 0.42
▸ MMP13 P45452 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
SCHEMBL5371336 1.00 LMNA (0.50) LMNAITGB3ITGA2BITGB1ITGA4
SCHEMBL5371339 1.00 LMNA (0.50) LMNAITGB3ITGA2BITGB1ITGA4
SCHEMBL5367697 0.89 ITGB3 (0.53) LMNAITGB3ITGA2BITGB1ITGA4
SCHEMBL5371743 0.89 ITGB3 (0.53) LMNAITGB3ITGA2BITGB1ITGA4
SCHEMBL5371740 0.89 ITGB3 (0.53) LMNAITGB3ITGA2BITGB1ITGA4
SCHEMBL5369184 0.88 LMNA (0.52) LMNAITGB3ITGA2BITGB1ITGA4
SCHEMBL6133113 0.87 LMNA (0.53) LMNAITGB3ITGA2BITGB1ITGA4
SCHEMBL6133112 0.87 LMNA (0.53) LMNAITGB3ITGA2BITGB1ITGA4
SCHEMBL3746930 0.84 ITGB3 (0.49) LMNAITGB3ITGA2BITGB1ITGA4
SCHEMBL3746933 0.84 ITGB3 (0.49) LMNAITGB3ITGA2BITGB1ITGA4

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 8 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
CN-1152877-C Piperazine derivatives ����ҩƷ��ҵ��ʽ���� 2004-06-09 — — CN disclosed
CN-1334812-A Piperazine derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2002-02-06 — — CN 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 LMNA 2980/4885ITGB3 2056/4885ITGA2B 2623/4885
US-20070123532-A1 PIPERAZINE DERIVATIVES PKD2, SSTR5, IL5 LMNA 3655/4885ITGB3 4094/4885ITGA2B 4038/4885

“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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