SCHEMBL12192557

SCHEMBL12192557

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.35
MMP2 P08253 2/20 0.35
ANPEP P15144 2/20 0.35
NR1H2 P55055 1/20 0.33
CHRNB2 P17787 2/20 0.31
CHRNA3 P32297 2/20 0.31
CHRNA4 P43681 2/20 0.31
CHRNB3 Q05901 1/20 0.31
CHRNA6 Q15825 1/20 0.31
CHRNB4 P30926 1/20 0.31
TACR1 P25103 1/20 0.30

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
SCHEMBL12192550 1.00 ATM (0.35) ATMMMP2ANPEPNR1H2CHRNB2
SCHEMBL12192545 0.84 MMP2 (0.36) ATMMMP2ANPEP
SCHEMBL12192563 0.84 MMP2 (0.36) ATMMMP2ANPEP
SCHEMBL12192551 0.83 ATM (0.34) ATMMMP2ANPEPCHRNB2CHRNA3
SCHEMBL2499032 0.82 NR1H2 (0.31) NR1H2
SCHEMBL4100495 0.82 NR1H2 (0.31) NR1H2
SCHEMBL21530136 0.82 NR1H2 (0.31) NR1H2
SCHEMBL20956695 0.82 NR1H2 (0.31) NR1H2
SCHEMBL12192533 0.81 ATM (0.33) ATMMMP2ANPEP
SCHEMBL12192539 0.81 ATM (0.33) ATMMMP2ANPEP

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.