SCHEMBL6705674

SCHEMBL6705674

COC(=O)CC1CCN(C2CCN(Cc3ccccc3)CC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.59
DRD4 P21917 1/20 0.59
ALDH1A1 P00352 5/20 0.56
KDM4E B2RXH2 4/20 0.56
CHRM4 P08173 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
RECQL P46063 1/20 0.54
ACHE P22303 1/20 0.54
CXCR4 P61073 1/20 0.53

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
SCHEMBL2980930 0.92 DRD2 (0.67) DRD2DRD4ACHECXCR4
SCHEMBL2085442 0.86 SMN1; SMN2 (0.56) DRD2DRD4SMN1; SMN2RECQLACHE
SCHEMBL8446486 0.85 LTA4H (0.65) DRD2DRD4ACHECXCR4
SCHEMBL15054621 0.83 DRD2 (0.56) DRD2DRD4CXCR4
SCHEMBL14127744 0.83 DRD2 (0.56) DRD2DRD4CXCR4
SCHEMBL28534937 0.82 DRD2 (0.62) DRD2DRD4ACHECXCR4
SCHEMBL7596783 0.81 ACHE (0.54) DRD2DRD4ALDH1A1KDM4ECHRM4
SCHEMBL28534938 0.80 DRD2 (0.61) DRD2DRD4ACHECXCR4
SCHEMBL8809184 0.80 DRD2 (0.61) DRD2DRD4ACHECXCR4
SCHEMBL31050638 0.79 DRD2 (0.51) DRD2DRD4KDM4EACHE

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-20040192729-A1 Carboxylic acids and the esters thereof, pharmaceutical compositions thereto and processes for the preparation thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-09-30 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-20040192729-A1 Carboxylic acids and the esters thereof, pharmaceutical compositions thereto and processes for the preparation thereof NPY1R, ADCY1, SRD5A1 DRD2 368/4885DRD4 225/4885ALDH1A1 102/4885

“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.