SCHEMBL7117724

SCHEMBL7117724

CCCN(CC1CCN(C(=O)O)CC1)C1CCc2ccc(O)cc2C1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 15/20 0.66
DRD3 P35462 15/20 0.66
DRD4 P21917 5/20 0.66
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
CYP2D6 P10635 2/20 0.66
HTR1A P08908 1/20 0.66
ADRB2 P07550 1/20 0.66
CASP1 P29466 1/20 0.66
LMNA P02545 2/20 0.65
MAPT P10636 1/20 0.65
ALDH1A1 P00352 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C9 P11712 1/20 0.59
TSHR P16473 1/20 0.59
CYP2C19 P33261 1/20 0.59

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
SCHEMBL3389069 0.88 DRD2 (0.60) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL6343702 0.83 DRD3 (0.66) DRD2DRD3DRD4
SCHEMBL7568447 0.81 DRD2 (1.00) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL29460204 0.81 DRD2 (1.00) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL29448457 0.81 DRD2 (1.00) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL8930123 0.81 DRD2 (1.00) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL623950 0.81 DRD2 (1.00) DRD2DRD3DRD4MEN1KMT2A
Bromide SCHEMBL4204027 0.80 DRD2 (1.00) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL6335402 0.79 DRD2 (0.66) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL9851528 0.78 HTR1A (0.57) DRD2DRD3HTR1A

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-6627644-B2 Muscarinic receptor antagonists and parasympathetic nervous system. The physiological actions of Acetylcholine are mediated by activation of either nicotinic or muscarinic receptors SYNTEX (U.S.A.) LLC 2003-09-30 US disclosed
US-20030162780-A1 4-PIPERIDINYL ALKYL AMINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS SYNTEX (U.S.A.) LLC, NAME CHANGED TO ROCHE PALO ALTO LLC 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-20030162780-A1 4-PIPERIDINYL ALKYL AMINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM1, CHRM3, CHRM2 DRD2 50/4885DRD3 56/4885DRD4 149/4885

“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.