SCHEMBL7470933

SCHEMBL7470933

c1ccc(CN2CCN[C@H](Cc3cccc4ccccc34)C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.51
TACR1 P25103 1/20 0.50
CYP2D6 P10635 1/20 0.49
SIGMAR1 Q99720 2/20 0.46
TSHR P16473 1/20 0.44
ACHE P22303 1/20 0.42
BCHE P06276 1/20 0.42
NPFFR1 Q9GZQ6 1/20 0.42
NPFFR2 Q9Y5X5 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
DRD4 P21917 1/20 0.40
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL4407940 0.90 TSHR (0.50) LTA4HTACR1CYP2D6SIGMAR1TSHR
SCHEMBL5562683 0.88 LTA4H (0.49) LTA4HTACR1CYP2D6SIGMAR1TSHR
SCHEMBL5562676 0.88 LTA4H (0.49) LTA4HTACR1CYP2D6SIGMAR1TSHR
SCHEMBL3491795 0.82 LTA4H (0.61) LTA4HTACR1CYP2D6SIGMAR1ACHE
SCHEMBL18325 0.82 LTA4H (0.61) LTA4HTACR1CYP2D6SIGMAR1ACHE
SCHEMBL24350 0.82 LTA4H (0.61) LTA4HTACR1CYP2D6SIGMAR1ACHE
SCHEMBL4287182 0.82 LTA4H (0.53) LTA4HTACR1CYP2D6SIGMAR1ACHE
SCHEMBL4282463 0.82 LTA4H (0.53) LTA4HTACR1CYP2D6SIGMAR1ACHE
SCHEMBL4288685 0.81 LTA4H (0.52) LTA4HTACR1CYP2D6SIGMAR1
SCHEMBL7826925 0.81 TACR1 (0.74) LTA4HTACR1CYP2D6SIGMAR1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0873320-B1 PIPERAZINE DERIVATIVES AS TACHYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2002-06-12 EP disclosed
US-20020010182-A1 Piperazine derivatives as tachykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-24 US disclosed
US-6087357-A Piperazine derivatives as tachykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-11 US disclosed
CN-1209125-A Piperazine derivatives as tachykinin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 1999-02-24 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 (1 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-20020010182-A1 Piperazine derivatives as tachykinin antagonists PKD2, SSTR5, TAC3 LTA4H 754/4885TACR1 5/4885CYP2D6 2982/4885

“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.