SCHEMBL6073976

SCHEMBL6073976

CC1(C)CC[C@H]([N+](=O)[O-])[C@@H](c2ccccc2)N1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 2/20 0.42
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
CYP2C19 P33261 1/20 0.38
GAA P10253 3/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
CHRNA7 P36544 1/20 0.35
KCNA4 P22459 1/20 0.34
KCNA1 Q09470 1/20 0.34
KCNAB1 Q14722 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
SCHEMBL6073913 1.00 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2TDP1KMT2AMEN1
SCHEMBL6073903 1.00 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2TDP1KMT2AMEN1
SCHEMBL6073972 1.00 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2TDP1KMT2AMEN1
SCHEMBL6073867 1.00 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2TDP1KMT2AMEN1
SCHEMBL6073712 0.74 MAOB (0.39) CYP2C19LMNACHRNA7
SCHEMBL6074008 0.72 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2TDP1KMT2AMEN1
SCHEMBL6074013 0.72 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2TDP1KMT2AMEN1
SCHEMBL6074020 0.72 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2TDP1KMT2AMEN1
SCHEMBL7898746 0.71 SMN1; SMN2 (0.74) ALDH1A1SMN1; SMN2TDP1KMT2AMEN1
SCHEMBL6098746 0.71 SMN1; SMN2 (0.74) ALDH1A1SMN1; SMN2TDP1KMT2AMEN1

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 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.