SCHEMBL6133030

SCHEMBL6133030

CC[C@@H]1COCCN1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.44
SIGMAR1 Q99720 2/20 0.41

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
SCHEMBL22792813 1.00 LTA4H (0.44) LTA4HSIGMAR1
SCHEMBL2459177 0.86 LTA4H (0.42) LTA4HSIGMAR1
SCHEMBL14995124 0.86
SCHEMBL2459174 0.86 LTA4H (0.42) LTA4HSIGMAR1
Hydrochloric Acid SCHEMBL9674234 0.84 LTA4H (0.41) LTA4HSIGMAR1
SCHEMBL945182 0.84 SIGMAR1 (0.47) LTA4HSIGMAR1
SCHEMBL12018715 0.84 LTA4H (0.41) LTA4HSIGMAR1
SCHEMBL6175077 0.84 LTA4H (0.41) LTA4HSIGMAR1
SCHEMBL7021205 0.84 LTA4H (0.41) LTA4HSIGMAR1
SCHEMBL9943884 0.84 LTA4H (0.41) LTA4HSIGMAR1

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

“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.