SCHEMBL345006

SCHEMBL345006

CC(C)(C)N(CCC1CCN(c2ccc(-c3ccc(F)cc3)cc2)CC1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 7/20 0.44
NOTUM Q6P988 1/20 0.43
MCHR1 Q99705 4/20 0.43
ACHE P22303 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SLC6A7 Q99884 1/20 0.42
HRH3 Q9Y5N1 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
DEGS1 O15121 1/20 0.40
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39

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
SCHEMBL346162 0.84 CHRM4 (0.43) CHRM4ACHEDRD2DRD4ALDH1A1
SCHEMBL2384977 0.84 CHRM4 (0.43) CHRM4ACHEKMT2AKDM4EALDH1A1
SCHEMBL16161729 0.76 NOTUM (0.47) NOTUMMCHR1MEN1KMT2ASLC6A7
SCHEMBL344551 0.76 CHRM4 (0.60) CHRM4NOTUMMEN1KMT2ASLC6A7
SCHEMBL3644097 0.74 NOTUM (0.51) CHRM4NOTUMHRH3DRD2DRD4
SCHEMBL1353798 0.73 GFER (0.43) CHRM4MCHR1MEN1KMT2AKDM4E
SCHEMBL344787 0.73 HRH3 (0.47) CHRM4NOTUMMEN1KMT2ASLC6A7
SCHEMBL346479 0.72 TSHR (0.42) CHRM4MCHR1MEN1KMT2AHRH3
SCHEMBL20271745 0.71 NOTUM (0.56) CHRM4NOTUMHRH3DRD2KDM4E
SCHEMBL785865 0.71 ITGB3 (0.44) ACHEHRH3

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-20120015950-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2012-01-19 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-20120015950-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF INTS9, CDK8, SCN8A CHRM4 1210/4885NOTUM 1779/4885MCHR1 3179/4885

“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.