SCHEMBL6074008

SCHEMBL6074008

O=[N+]([O-])[C@H]1CCCN[C@@H]1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
RAB9A P51151 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 3/20 0.39
TACR1 P25103 6/20 0.39
TP53 P04637 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
THPO P40225 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL6074013 1.00 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2TDP1RAB9AGAA
SCHEMBL6074020 1.00 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2TDP1RAB9AGAA
SCHEMBL7898749 0.73 SMN1; SMN2 (0.74) ALDH1A1SMN1; SMN2TDP1RAB9AGAA
SCHEMBL7898746 0.73 SMN1; SMN2 (0.74) ALDH1A1SMN1; SMN2TDP1RAB9AGAA
SCHEMBL6098746 0.73 SMN1; SMN2 (0.74) ALDH1A1SMN1; SMN2TDP1RAB9AGAA
SCHEMBL6073972 0.72 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2TDP1RAB9AGAA
SCHEMBL6073976 0.72 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2TDP1RAB9AGAA
SCHEMBL6073913 0.72 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2TDP1RAB9AGAA
SCHEMBL6073903 0.72 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2TDP1RAB9AGAA
SCHEMBL6073867 0.72 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2TDP1RAB9AGAA

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 2 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

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

“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.