SCHEMBL346479

SCHEMBL346479

CNC(=O)c1cc(CN(CCC2CCN(c3ccc(-c4ccc(F)cc4)cc3)CC2)C(=O)O)on1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MCHR1 Q99705 5/20 0.41
IKBKB O14920 1/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CHRM4 P08173 4/20 0.37
MEN1 O00255 1/20 0.36
PDE6D O43924 1/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
DEGS1 O15121 1/20 0.35

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
SCHEMBL345653 0.86 CKS1B (0.41) MCHR1HRH3CHRM4
SCHEMBL345267 0.79 NPC1 (0.43) TSHRLMNASMN1; SMN2IKBKBKMT2A
SCHEMBL345182 0.78 CHRM4 (0.45) TSHRLMNASMN1; SMN2KMT2ACHRM4
SCHEMBL345775 0.75 CKS1B (0.39) SMN1; SMN2MCHR1NPC1RAB9ACHRM4
SCHEMBL344848 0.72 ACACB (0.38) CHRM4
SCHEMBL345006 0.72 CHRM4 (0.44) MCHR1KMT2AMAPTHRH3CHRM4
SCHEMBL9993531 0.72 DGAT1 (0.34) MCHR1
SCHEMBL8510771 0.69 SCD (0.35) SMN1; SMN2MCHR1KMT2ARAB9AMEN1
SCHEMBL345341 0.69 CHRM4 (0.42) KMT2AMAPTPOLBCHRM4MEN1
SCHEMBL8513298 0.69 CHRM4 (0.34) LMNASMN1; SMN2KMT2AMAPTNPC1

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 TSHR 47/4885LMNA 3145/4885SMN1; SMN2 3115/4885

“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.