SCHEMBL6098746

SCHEMBL6098746

O=C1CCC([N+](=O)[O-])C(c2ccccc2)N1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.74
ALDH1A1 P00352 1/20 0.74
TDP1 Q9NUW8 2/20 0.71
RAB9A P51151 1/20 0.66
GAA P10253 1/20 0.66
POLB P06746 2/20 0.62
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
ATM Q13315 1/20 0.59
TP53 P04637 1/20 0.42
MDM2 Q00987 1/20 0.42
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
USP7 Q93009 1/20 0.34

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
SCHEMBL7898749 1.00 SMN1; SMN2 (0.74) SMN1; SMN2ALDH1A1TDP1RAB9AGAA
SCHEMBL7898746 1.00 SMN1; SMN2 (0.74) SMN1; SMN2ALDH1A1TDP1RAB9AGAA
SCHEMBL2188279 0.85 ALDH1A1 (0.74) SMN1; SMN2ALDH1A1TDP1RAB9AGAA
SCHEMBL6099597 0.85 ALDH1A1 (0.74) SMN1; SMN2ALDH1A1TDP1RAB9AGAA
SCHEMBL9025236 0.85 ALDH1A1 (1.00) SMN1; SMN2ALDH1A1TDP1RAB9AGAA
SCHEMBL6099600 0.85 ALDH1A1 (0.74) SMN1; SMN2ALDH1A1TDP1RAB9AGAA
SCHEMBL2188282 0.85 ALDH1A1 (0.74) SMN1; SMN2ALDH1A1TDP1RAB9AGAA
SCHEMBL2188278 0.85 ALDH1A1 (0.74) SMN1; SMN2ALDH1A1TDP1RAB9AGAA
SCHEMBL6099592 0.85 ALDH1A1 (0.74) SMN1; SMN2ALDH1A1TDP1RAB9AGAA
SCHEMBL8529114 0.83 TDP1 (0.73) SMN1; SMN2ALDH1A1TDP1RAB9AGAA

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 43 patents — showing the first 20. 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
EP-1209157-A1 Heteroarylamino and heteroarylsulfonamido substituted 3-benzylaminomethyl piperidines and related compounds PFIZER INC. (US) 2002-05-29 EP disclosed
EP-1080080-A4 NOVEL THERAPEUTIC AGENTS THAT MODULATE NEUROKININ RECEPTORS ADVANCED MEDICINE INC (US) 2001-03-07 EP disclosed
EP-1080080-A1 NOVEL THERAPEUTIC AGENTS THAT MODULATE NEUROKININ RECEPTORS Advanced Medicine, Inc. (US) 2001-03-07 EP disclosed
EP-0743939-B1 ARALKOXY AND ARALKYLTHIO SUBSTITUTED AZACYCLIC COMPOUNDS AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME (GB) 2000-05-10 EP disclosed
WO-1999064000-A9 NOVEL THERAPEUTIC AGENTS THAT MODULATE NEUROKININ RECEPTORS ADVANCED MEDICINE INC (US) 2000-04-20 WO disclosed
WO-1999064000-A1 NOVEL THERAPEUTIC AGENTS THAT MODULATE NEUROKININ RECEPTORS ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed
EP-0652866-B1 AZACYCLIC COMPOUNDS MERCK SHARP & DOHME (GB) 1998-11-25 EP disclosed
EP-0600952-A1 AZACYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. MERCK SHARP & DOHME (GB) 1994-06-15 EP disclosed
EP-0594636-A1 3-AMINOPIPERIDINE DERIVATIVES AND RELATED NITROGEN CONTAINING HETEROCYCLES PFIZER INC. (US) 1994-05-04 EP disclosed
WO-1994002461-A1 AZACYCLIC COMPOUNDS MERCK SHARP & DOHME LIMITED (GB) 1994-02-03 WO disclosed
WO-1993021181-A1 AZACYCLIC COMPOUNDS MERCK SHARP & DOHME LIMITED (GB) 1993-10-28 WO disclosed
US-5232929-A 3-aminopiperidine derivatives and related nitrogen containing heterocycles and pharmaceutical compositions and use PFIZER INC. (US) 1993-08-03 US disclosed
WO-1993004040-A1 AZACYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK SHARP & DOHME LIMITED (GB) 1993-03-04 WO disclosed
EP-0528495-A1 Azacyclic compounds, processes for their preparation and pharmaceutical compositions containing them MERCK SHARP & DOHME LTD. (GB) 1993-02-24 EP disclosed
WO-1993001170-A1 3-AMINOPIPERIDINE DERIVATIVES AND RELATED NITROGEN CONTAINING HETEROCYCLES PFIZER INC. (US) 1993-01-21 WO disclosed
WO-1991009844-A1 SUBSTANCE P ANTAGONISTS PFIZER INC. (US) 1991-07-11 WO disclosed
EP-0436334-A2 3-Aminopiperidine derivatives and related nitrogen containing heterocycles PFIZER INC. (US) 1991-07-10 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 SMN1; SMN2 4121/4885ALDH1A1 136/4885TDP1 3814/4885

“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.