SCHEMBL6133113

SCHEMBL6133113

CC(=O)NC(Cc1ccc(C)c(C)c1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.53
▸ ITGB1 P05556 2/20 0.51
▸ ITGA4 P13612 1/20 0.51
▸ ITGB3 P05106 2/20 0.50
▸ ITGA2B P08514 2/20 0.50
▸ CTSB P07858 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ PSMB8 P28062 2/20 0.48
▸ PSMB5 P28074 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ TACR1 P25103 3/20 0.46
▸ ACE P12821 1/20 0.46
▸ ITGAV P06756 1/20 0.45
▸ ITGB5 P18084 1/20 0.45
▸ PTPN1 P18031 1/20 0.44
▸ GNPAT O15228 1/20 0.44
▸ FOLH1 Q04609 1/20 0.44

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
SCHEMBL6133112 1.00 LMNA (0.53) LMNAITGB1ITGA4ITGB3ITGA2B
SCHEMBL5371336 0.87 LMNA (0.50) LMNAITGB1ITGA4ITGB3ITGA2B
SCHEMBL5371740 0.87 ITGB3 (0.53) LMNAITGB1ITGA4ITGB3ITGA2B
SCHEMBL5367697 0.87 ITGB3 (0.53) LMNAITGB1ITGA4ITGB3ITGA2B
SCHEMBL5363563 0.87 LMNA (0.50) LMNAITGB1ITGA4ITGB3ITGA2B
SCHEMBL5371339 0.87 LMNA (0.50) LMNAITGB1ITGA4ITGB3ITGA2B
SCHEMBL5371743 0.87 ITGB3 (0.53) LMNAITGB1ITGA4ITGB3ITGA2B
SCHEMBL5148682 0.85 LDHA (0.52) LMNAITGB1ITGA4ITGB3ITGA2B
SCHEMBL5148677 0.85 LDHA (0.52) LMNAITGB1ITGA4ITGB3ITGA2B
SCHEMBL5148667 0.85 LDHA (0.52) LMNAITGB1ITGA4ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1255401-C Aroyl-piperazine derivatives, their preparation and their use as tachykinin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2006-05-10 — — CN disclosed
US-6924278-B2 Heterocyclic carboxy amines such as (2R)-1-[3,5-Bis(trifluoromethyl)benzoyl]-4-[4-((3S)-3-ethylmorpholino)-2-butynyl]-2-[(1H-indol-3-yl)methyl]piperazine, used as substance P and neurokinin antagonist for prophylaxis of diseases FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-08-02 — — US disclosed
US-20050027121-A1 Aroyl-piperazine derivatives, their preparation and their use as tachykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-02-03 — — US disclosed
US-20030114668-A1 AROYL-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-19 — — US disclosed
CN-1266431-A Aroyl-piperazine derivatives, their preparation and their use as tachykinin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2000-09-13 — — CN disclosed
EP-0993457-A1 AROYL-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-19 — — EP disclosed
WO-1998057954-A1 AROYL-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-23 — — 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-20050027121-A1 Aroyl-piperazine derivatives, their preparation and their use as tachykinin antagonists TAC3, TACR1, SSTR5 LMNA 4597/4885ITGB1 4226/4885ITGA4 4206/4885
US-20030114668-A1 AROYL-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS TACR1, NPSR1, SSTR2 LMNA 4547/4885ITGB1 3198/4885ITGA4 4103/4885

“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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