SCHEMBL12192551

SCHEMBL12192551

CC(=O)N1C[C@H]2C[C@H]2[C@H]1CN

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.34
MMP2 P08253 1/20 0.34
ANPEP P15144 1/20 0.34
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
CHRNB3 Q05901 1/20 0.31
CHRNA6 Q15825 1/20 0.31

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
SCHEMBL15252802 0.83 GABRR1 (0.32) DPP4DPP8
SCHEMBL12192557 0.83 ATM (0.35) ATMMMP2ANPEPCHRNB2CHRNA3
SCHEMBL12192550 0.83 ATM (0.35) ATMMMP2ANPEPCHRNB2CHRNA3
SCHEMBL20956816 0.83 GABRR1 (0.32) DPP4DPP8
SCHEMBL12192539 0.80 ATM (0.33) ATMMMP2ANPEPDPP4DPP8
SCHEMBL12192533 0.80 ATM (0.33) ATMMMP2ANPEPDPP4DPP8
SCHEMBL12192543 0.79 MMP2 (0.33) ATMMMP2ANPEP
SCHEMBL12192545 0.79 MMP2 (0.36) ATMMMP2ANPEP
SCHEMBL12192563 0.79 MMP2 (0.36) ATMMMP2ANPEP
SCHEMBL3415474 0.77 NR1H2 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030495-B2 Cyclopropyl pyrrolidine orexin receptor antagonists MERCK SHARP & DOHME CORP. 2011-10-04 US disclosed
US-20100152191-A1 CYCLOPROPYL PYRROLIDINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. 2010-06-17 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-20100152191-A1 CYCLOPROPYL PYRROLIDINE OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, OXTR ATM 4835/4885MMP2 3423/4885ANPEP 560/4885

“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.