SCHEMBL345491

SCHEMBL345491

CCN(CCC1CCN(c2ccc(CC(C)C)cn2)CC1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.43
HRH3 Q9Y5N1 1/20 0.41
PANK3 Q9H999 1/20 0.39
GPR119 Q8TDV5 3/20 0.39
DGAT1 O75907 1/20 0.38
RORC P51449 1/20 0.38
CHRM4 P08173 3/20 0.38
CKS1B P61024 2/20 0.37
SKP1 P63208 2/20 0.37
SKP2 Q13309 2/20 0.37
MCHR1 Q99705 1/20 0.37

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
SCHEMBL1727916 0.89 ENPP2 (0.45) ENPP2HRH3PANK3GPR119DGAT1
SCHEMBL1727578 0.88 ENPP2 (0.42) ENPP2HRH3PANK3DGAT1RORC
SCHEMBL344553 0.83 CHRM4 (0.47) PANK3GPR119DGAT1CHRM4CKS1B
SCHEMBL346152 0.80 CKS1B (0.39) GPR119DGAT1CHRM4CKS1BSKP1
SCHEMBL1728880 0.80 CHRM4 (0.49) ENPP2PANK3CHRM4
SCHEMBL345439 0.78 ENPP2 (0.45) ENPP2HRH3PANK3GPR119DGAT1
SCHEMBL1727913 0.77 HRH3 (0.38) ENPP2HRH3PANK3GPR119RORC
SCHEMBL1727577 0.75 PANK3 (0.38) ENPP2HRH3PANK3GPR119RORC
SCHEMBL9993631 0.73 PANK3 (0.39) ENPP2HRH3PANK3GPR119RORC
SCHEMBL5234572 0.73 PANK3 (0.55) HRH3PANK3RORC

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 ENPP2 3085/4885HRH3 50/4885PANK3 2356/4885

“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.