SCHEMBL6074667

SCHEMBL6074667

O=C1CCC([N+](=O)[O-])C(c2ccccn2)N1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.59
GAA P10253 1/20 0.59
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
TDP1 Q9NUW8 3/20 0.53
ATM Q13315 1/20 0.53
POLB P06746 4/20 0.50
KMT2A Q03164 6/20 0.48
MEN1 O00255 5/20 0.48
DDB1 Q16531 2/20 0.48
CRBN Q96SW2 2/20 0.48
MAPT P10636 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
RECQL P46063 1/20 0.37
TP53 P04637 1/20 0.36
ALOX12 P18054 1/20 0.36

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 0.79 SMN1; SMN2 (0.74) RAB9AGAAALDH1A1SMN1; SMN2TDP1
SCHEMBL6098746 0.79 SMN1; SMN2 (0.74) RAB9AGAAALDH1A1SMN1; SMN2TDP1
SCHEMBL7898746 0.79 SMN1; SMN2 (0.74) RAB9AGAAALDH1A1SMN1; SMN2TDP1
SCHEMBL9024567 0.77 CRBN (0.52) RAB9AGAAALDH1A1SMN1; SMN2TDP1
SCHEMBL6073965 0.75 TDP1 (0.62) RAB9AGAAALDH1A1SMN1; SMN2TDP1
SCHEMBL5748307 0.74 RAB9A (0.71) RAB9AGAAALDH1A1SMN1; SMN2TDP1
SCHEMBL9024919 0.74 GAA (1.00) RAB9AGAAALDH1A1SMN1; SMN2TDP1
SCHEMBL5748309 0.74 RAB9A (0.71) RAB9AGAAALDH1A1SMN1; SMN2TDP1
SCHEMBL5748304 0.74 RAB9A (0.71) RAB9AGAAALDH1A1SMN1; SMN2TDP1
SCHEMBL18150679 0.73 CRBN (0.58) RAB9AALDH1A1KMT2AMEN1DDB1

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
US-7119207-B2 Benzoamide piperidine containing compounds and related compounds PFIZER INC (US) 2006-10-10 US disclosed
US-20030087925-A1 Benzoamide piperidine containing compounds and related compounds PFIZER INC. 2003-05-08 US disclosed
EP-1272484-A2 BENZOAMIDE PIPERIDINE COMPOUNDS AS SUBSTANCE P ANTAGONISTS Pfizer Products Inc. (US) 2003-01-08 EP disclosed
WO-2001077100-A2 BENZOAMIDE PIPERIDINE COMPOUNDS AS SUBSTANCE P ANTAGONISTS PFIZER PRODUCTS INC. (US) 2001-10-18 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 (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-20030087925-A1 Benzoamide piperidine containing compounds and related compounds TACR1, VIPR1, VIPR2 RAB9A 2064/4885GAA 781/4885ALDH1A1 732/4885

“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.