SCHEMBL6098068

SCHEMBL6098068

N[C@@H]1CCCN[C@@H]1c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.49
LTA4H P09960 1/20 0.39
SLC6A2 P23975 5/20 0.38
SLC6A4 P31645 5/20 0.38
SLC6A3 Q01959 5/20 0.38
TACR1 P25103 1/20 0.36
PRCP P42785 1/20 0.36
CHRNA7 P36544 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL6097576 1.00 HTR3A (0.49) HTR3ALTA4HSLC6A2SLC6A4SLC6A3
SCHEMBL7076362 1.00 HTR3A (0.49) HTR3ALTA4HSLC6A2SLC6A4SLC6A3
SCHEMBL6098075 1.00 HTR3A (0.49) HTR3ALTA4HSLC6A2SLC6A4SLC6A3
SCHEMBL7029317 0.82 KDM1A (0.46) LTA4HSLC6A2SLC6A4SLC6A3TACR1
SCHEMBL7557471 0.82 KDM1A (0.46) LTA4HSLC6A2SLC6A4SLC6A3TACR1
SCHEMBL6669116 0.82 MAPT (0.40) PRCP
SCHEMBL6074341 0.82 KDM1A (0.46) LTA4HSLC6A2SLC6A4SLC6A3TACR1
SCHEMBL7485890 0.82 KDM1A (0.46) LTA4HSLC6A2SLC6A4SLC6A3TACR1
SCHEMBL6669110 0.82 MAPT (0.40) PRCP
SCHEMBL6669105 0.82 MAPT (0.40) PRCP

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
US-7067535-B2 5-Phenylbenzylamine compounds, process for their production and intermediates for their synthesis TANABE SEIYAKU CO., LTD. (JP) 2006-06-27 US disclosed
EP-1457487-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE CIS-PIPERIDINE DERIVATIVES Toray Fine Chemicals Co., Ltd. (JP) 2004-09-15 EP disclosed
US-20040171836-A1 Method for producing optical-active cis-piperidine derivatives TORAY FINE CHEMICALS CO., LTD., A CORPORATION OF JAPAN, (JP) 2004-09-02 US disclosed
US-20040097548-A1 5-Phenylbenzylamine compounds, process for their production and intermediates for their synthesis TANABE SEIYAKI CO., LTD. (JP) 2004-05-20 US disclosed
EP-1323713-A1 5-PHENYLBENZYLAMINE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND INTERMEDIATES FOR THEIR SYNTHESIS TANABE SEIYAKU CO., LTD. (JP) 2003-07-02 EP 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-20040171836-A1 Method for producing optical-active cis-piperidine derivatives TYR, DDC, TARBP1 HTR3A 666/4885LTA4H 2757/4885SLC6A2 2935/4885
US-20040097548-A1 5-Phenylbenzylamine compounds, process for their production and intermediates for their synthesis CYP1B1, MAOB, HTR1B HTR3A 141/4885LTA4H 2467/4885SLC6A2 711/4885

“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.