SCHEMBL6712837

SCHEMBL6712837

Nc1ccc(Br)cc1C(=O)OCC1C2CCC1N(Cc1ccccc1)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
DRD2 P14416 4/20 0.37
DRD4 P21917 4/20 0.37
DRD3 P35462 2/20 0.37
GLA P06280 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CCR2 P41597 1/20 0.36
BRD4 O60885 1/20 0.35
RECQL P46063 1/20 0.35
ROCK2 O75116 1/20 0.35
ARHGDIA P52565 1/20 0.35
ROCK1 Q13464 1/20 0.35
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 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
Hydrochloric Acid SCHEMBL6711180 0.99 MAPT (0.38) MAPTPOLBDRD2DRD4DRD3
SCHEMBL6709556 0.89 DRD2 (0.37) DRD2DRD4GLAROCK2ARHGDIA
SCHEMBL6707465 0.88 ALDH1A1 (0.46) POLBDRD2DRD4GLAKDM4E
Hydrochloric Acid SCHEMBL6709619 0.88 DRD2 (0.36) DRD2DRD4GLAROCK2ARHGDIA
Hydrochloric Acid SCHEMBL6709587 0.87 ALDH1A1 (0.45) POLBDRD2DRD4GLAKDM4E
SCHEMBL6713064 0.86 RAB9A (0.42) MAPTPOLBDRD3CCR2ALDH1A1
Hydrochloric Acid SCHEMBL6707461 0.85 ALDH1A1 (0.42) MAPTPOLBDRD3CCR2ALDH1A1
SCHEMBL6712831 0.84 KDM4E (0.48) MAPTDRD2DRD4KDM4EBRD4
SCHEMBL6707480 0.84 DRD4 (0.46) POLBDRD2DRD4DRD3KDM4E
Hydrochloric Acid SCHEMBL6710964 0.83 KDM4E (0.47) MAPTDRD2DRD4KDM4EBRD4

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-20040110788-A1 Nicotinic acetylcholine receptor ligands MERCK PATENT GMBH (DE) 2004-06-10 US claimed
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 MAPT 184/4885POLB 1319/4885DRD2 117/4885

“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.