SCHEMBL6132997

SCHEMBL6132997

CC(C)C[C@H]1COCCN1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.44
▸ GRM2 Q14416 1/20 0.43
▸ LTA4H P09960 1/20 0.42
▸ KCNJ4 P48050 1/20 0.38
▸ ELANE P08246 1/20 0.38

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
SCHEMBL7244148 1.00 SIGMAR1 (0.44) SIGMAR1GRM2LTA4HKCNJ4ELANE
SCHEMBL27750063 0.85 SIGMAR1 (0.40) SIGMAR1ELANE
SCHEMBL6133030 0.84 LTA4H (0.44) SIGMAR1LTA4H
SCHEMBL22792813 0.84 LTA4H (0.44) SIGMAR1LTA4H
SCHEMBL6175077 0.84 LTA4H (0.41) SIGMAR1LTA4H
SCHEMBL1597984 0.84 LTA4H (0.41) SIGMAR1LTA4H
SCHEMBL7021205 0.84 LTA4H (0.41) SIGMAR1LTA4H
SCHEMBL19086092 0.83 DPP4 (0.40) GRM2
SCHEMBL15573062 0.83 SIGMAR1 (0.40) SIGMAR1LTA4H
SCHEMBL25298851 0.82 LTA4H (0.40) SIGMAR1LTA4H

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 5 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

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 SIGMAR1 1572/4885GRM2 480/4885LTA4H 911/4885
US-20030114668-A1 AROYL-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS TACR1, NPSR1, SSTR2 SIGMAR1 670/4885GRM2 738/4885LTA4H 561/4885

“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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