SCHEMBL317199

SCHEMBL317199

CCOC(=O)N1CCN(C(=O)[C@@H](N)CC#N)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
GAA P10253 4/20 0.46
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 2/20 0.45
POLB P06746 3/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
RECQL P46063 1/20 0.43
DPP4 P27487 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPT P10636 2/20 0.40
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 2/20 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
SCHEMBL317200 1.00 TSHR (0.47) TSHRGAAALDH1A1KDM4EPOLB
SCHEMBL524810 0.88 LMNA (0.49) TSHRGAAPOLBSMN1; SMN2HRH2
SCHEMBL524811 0.88 LMNA (0.49) TSHRGAAPOLBSMN1; SMN2HRH2
SCHEMBL2538064 0.85 DPP4 (0.46) TSHRGAAALDH1A1KDM4EPOLB
SCHEMBL2538060 0.85 DPP4 (0.46) TSHRGAAALDH1A1KDM4EPOLB
SCHEMBL953433 0.83 TSHR (0.50) TSHRGAAALDH1A1KDM4EPOLB
SCHEMBL953434 0.83 TSHR (0.50) TSHRGAAALDH1A1KDM4EPOLB
SCHEMBL15075933 0.81 HRH2 (0.46) HRH2HRH1CYP1A2TDP1
SCHEMBL3332718 0.78 TSHR (0.49) TSHRGAAALDH1A1KDM4EPOLB
SCHEMBL3332725 0.78 TSHR (0.49) TSHRGAAALDH1A1KDM4EPOLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081903-B1 2-AMINOCARBONYL-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2014-05-07 EP disclosed
US-8093250-B2 2-aminocarbonyl-pyridine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-01-10 US disclosed
US-20100035895-A1 2-AMINOCARBONYL-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-02-11 US disclosed
EP-2081903-A2 2-AMINOCARBONYL-PYRIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-07-29 EP disclosed
WO-2008044217-A2 2-AMINOCARBONYL-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-04-17 WO 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-20100035895-A1 2-AMINOCARBONYL-PYRIDINE DERIVATIVES P2RY12, P2RY2, P2RY1 TSHR 1797/4885GAA 3512/4885ALDH1A1 978/4885

“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.