SCHEMBL6073965

SCHEMBL6073965

O=C1CCC([N+](=O)[O-])C(c2cccnc2)N1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.62
ALDH1A1 P00352 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
RAB9A P51151 1/20 0.54
GAA P10253 1/20 0.54
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
POLB P06746 2/20 0.52
ATM Q13315 1/20 0.49
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
KDM4E B2RXH2 2/20 0.40
CYP3A4 P08684 1/20 0.40
THRB P10828 1/20 0.40
TSHR P16473 1/20 0.40
THPO P40225 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CHRNA7 P36544 1/20 0.38

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
SCHEMBL7898746 0.83 SMN1; SMN2 (0.74) TDP1ALDH1A1SMN1; SMN2RAB9AGAA
SCHEMBL6098746 0.83 SMN1; SMN2 (0.74) TDP1ALDH1A1SMN1; SMN2RAB9AGAA
SCHEMBL7898749 0.83 SMN1; SMN2 (0.74) TDP1ALDH1A1SMN1; SMN2RAB9AGAA
SCHEMBL8533561 0.76 TDP1 (0.73) TDP1ALDH1A1SMN1; SMN2RAB9AGAA
SCHEMBL8529113 0.76 TDP1 (0.73) TDP1ALDH1A1SMN1; SMN2RAB9AGAA
SCHEMBL8529118 0.76 TDP1 (0.73) TDP1ALDH1A1SMN1; SMN2RAB9AGAA
SCHEMBL8529114 0.76 TDP1 (0.73) TDP1ALDH1A1SMN1; SMN2RAB9AGAA
SCHEMBL31043781 0.75 CHRNB2 (0.56) SMN1; SMN2GAAKMT2AMEN1POLB
SCHEMBL30140852 0.75 CHRNB2 (0.56) SMN1; SMN2GAAKMT2AMEN1POLB
SCHEMBL2788897 0.75 CHRNB2 (0.56) SMN1; SMN2GAAKMT2AMEN1POLB

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 TDP1 2921/4885ALDH1A1 732/4885SMN1; SMN2 3186/4885

“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.