SCHEMBL6098877

SCHEMBL6098877

COC(=O)CN1CCCC[C@@]1(N)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
OPRL1 P41146 7/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
TACR1 P25103 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
Hydrochloric Acid SCHEMBL8843548 0.79 SMN1; SMN2 (0.44) OPRL1ALDH1A1OPRM1OPRK1SMN1; SMN2
SCHEMBL27418793 0.73 OPRL1 (0.44) OPRL1OPRM1
Hydrochloric Acid SCHEMBL27395801 0.72 POLB (0.45) MEN1KMT2AOPRL1OPRM1
SCHEMBL28536867 0.71 MEN1 (0.47) MEN1KMT2AMAPK1LMNAGAA
SCHEMBL3393922 0.71 MEN1 (0.47) MEN1KMT2AMAPK1LMNAGAA
SCHEMBL3433975 0.70 MEN1 (0.46) MEN1KMT2AMAPK1LMNAGAA
SCHEMBL3787663 0.68 SMN1; SMN2 (0.45) MEN1KMT2AMAPK1L3MBTL1GAA
SCHEMBL5274482 0.67 AKR1C1 (0.56) MEN1KMT2ALMNAL3MBTL1ALDH1A1
SCHEMBL3391147 0.66 HSD11B1 (0.44) MEN1KMT2ALMNAALDH1A1OPRM1
SCHEMBL5820445 0.66 POLB (0.40) MEN1KMT2AOPRL1MAPK1LMNA

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 3 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
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 (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-20040097548-A1 5-Phenylbenzylamine compounds, process for their production and intermediates for their synthesis CYP1B1, MAOB, HTR1B MEN1 1926/4885KMT2A 572/4885OPRL1 1106/4885

“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.