SCHEMBL7051258

SCHEMBL7051258

COc1ccc([N+](=O)[O-])cc1C[C@@H]1CCCN(N)[C@@H]1c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.45
HTT P42858 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
ALDH1A1 P00352 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KMT2A Q03164 2/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 2/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CYP2D6 P10635 2/20 0.40
MAPT P10636 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
Hydrochloric Acid SCHEMBL7250738 0.87 TACR1 (0.37) TACR1HTTALDH1A1KMT2ASMN1; SMN2
SCHEMBL7833056 0.85 TACR1 (0.51) TACR1KMT2ACA1CA2MEN1
SCHEMBL7828087 0.85 TACR1 (0.51) TACR1KMT2ACA1CA2MEN1
SCHEMBL7828089 0.85 TACR1 (0.51) TACR1KMT2ACA1CA2MEN1
SCHEMBL7817009 0.83 KMT2A (0.45) TACR1L3MBTL1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL7817012 0.83 KMT2A (0.45) TACR1L3MBTL1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL27365754 0.82 TACR1 (0.53) TACR1ALDH1A1KMT2ASMN1; SMN2CYP2D6
Hydrochloric Acid SCHEMBL7837990 0.81 TACR1 (0.52) TACR1ALDH1A1KMT2ASMN1; SMN2CYP2D6
SCHEMBL9374751 0.81 TACR1 (0.49) TACR1ALDH1A1CYP2D6SLC6A3
SCHEMBL9210577 0.81 TACR1 (0.49) TACR1ALDH1A1KMT2AGAAMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030162766-A1 Aminomethylene substituted non-aromatic heterocycles and use as substance P antagonists PFIZER INC. 2003-08-28 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-20030162766-A1 Aminomethylene substituted non-aromatic heterocycles and use as substance P antagonists NPY1R, OPRK1, TACR1 TACR1 3/4885HTT 1848/4885L3MBTL1 3529/4885

“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.