SCHEMBL6713064

SCHEMBL6713064

Nc1ccc([N+](=O)[O-])cc1C(=O)OCC1C2CCC1N(Cc1ccccc1)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 1/20 0.42
FAAH O00519 2/20 0.40
THRB P10828 1/20 0.40
MAPT P10636 1/20 0.39
CCR2 P41597 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
PGR P06401 1/20 0.38
CHRM2 P08172 1/20 0.38
ABCB1 P08183 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD1 P21728 1/20 0.38
TBXA2R P21731 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 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
Hydrochloric Acid SCHEMBL6707461 0.99 ALDH1A1 (0.42) RAB9AALDH1A1POLBLMNAFAAH
SCHEMBL6709556 0.86 DRD2 (0.37) RAB9AALDH1A1TDP1CHRM2CHRM1
SCHEMBL6712837 0.86 MAPT (0.39) RAB9AALDH1A1POLBMAPTCCR2
SCHEMBL6707465 0.85 ALDH1A1 (0.46) RAB9AALDH1A1POLBTDP1KCNH2
Hydrochloric Acid SCHEMBL6709619 0.85 DRD2 (0.36) RAB9AALDH1A1TDP1CHRM2CHRM1
Hydrochloric Acid SCHEMBL6711180 0.85 MAPT (0.38) RAB9AALDH1A1POLBMAPTCCR2
Hydrochloric Acid SCHEMBL6709587 0.85 ALDH1A1 (0.45) RAB9AALDH1A1POLBTDP1KCNH2
SCHEMBL6707483 0.83 ALDH1A1 (0.45) RAB9AALDH1A1LMNAMAPTTDP1
Hydrochloric Acid SCHEMBL6713117 0.82 ALDH1A1 (0.44) RAB9AALDH1A1LMNAMAPTTDP1
SCHEMBL6712831 0.82 KDM4E (0.48) RAB9AALDH1A1LMNAMAPTTDP1

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-20040110788-A1 Nicotinic acetylcholine receptor ligands MERCK PATENT GMBH (DE) 2004-06-10 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-20040110788-A1 Nicotinic acetylcholine receptor ligands CHRNA1, CHRNA2, CHRNA10 RAB9A 957/4885ALDH1A1 850/4885POLB 1319/4885

“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.