SCHEMBL694085

SCHEMBL694085

CCCCOC(=O)N1CCN(C(=O)[C@@H](N)CCC(=O)OCC)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
POLB P06746 2/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.40
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
P2RY12 Q9H244 5/20 0.40
GAA P10253 2/20 0.40
HRH2 P25021 7/20 0.39
HRH1 P35367 7/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38

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
Hydrochloric Acid SCHEMBL718575 0.99 SMN1; SMN2 (0.46) SMN1; SMN2POLBLMNATSHRDPP4
Hydrochloric Acid SCHEMBL718574 0.99 SMN1; SMN2 (0.46) SMN1; SMN2POLBLMNATSHRDPP4
SCHEMBL694227 0.87 P2RY12 (0.46) SMN1; SMN2POLBLMNAP2RY12
SCHEMBL693694 0.87 P2RY12 (0.46) SMN1; SMN2POLBLMNAP2RY12
SCHEMBL522823 0.87 LMNA (0.54) SMN1; SMN2POLBLMNATSHRDPP4
SCHEMBL522822 0.87 LMNA (0.54) SMN1; SMN2POLBLMNATSHRDPP4
SCHEMBL523224 0.87 LMNA (0.54) SMN1; SMN2POLBLMNATSHRDPP4
SCHEMBL523223 0.87 LMNA (0.54) SMN1; SMN2POLBLMNATSHRDPP4
Acetic Acid SCHEMBL317606 0.84 P2RY12 (0.47) SMN1; SMN2POLBLMNAP2RY12
SCHEMBL3331715 0.83 LMNA (0.50) SMN1; SMN2POLBLMNAP2RY12HRH2

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
US-8664203-B2 Thiazole derivatives and their use as P2Y12 receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2014-03-04 US disclosed
US-20130281406-A2 THIAZOLE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2013-10-24 US disclosed
US-20120053149-A1 THIAZOLE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2012-03-01 US disclosed
EP-2421859-A1 THIAZOLE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-02-29 EP disclosed
WO-2010122504-A1 THIAZOLE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-10-28 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 (2 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-20120053149-A1 THIAZOLE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS P2RY12, P2RY1, P2RY2 SMN1; SMN2 3623/4885POLB 4348/4885LMNA 3423/4885
US-20130281406-A2 THIAZOLE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS P2RY12, P2RY1, P2RY2 SMN1; SMN2 3642/4885POLB 4457/4885LMNA 3566/4885

“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.