SCHEMBL9893116

SCHEMBL9893116

CC(C)N1C[C@H](O)CC1C

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.34
LMNA P02545 1/20 0.31
CYP2C9 P11712 1/20 0.31
DPP4 P27487 2/20 0.31
DPP8 Q6V1X1 2/20 0.31
DPP9 Q86TI2 2/20 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
SCHEMBL10147283 1.00 PIK3CD (0.34) PIK3CDLMNACYP2C9DPP4DPP8
SCHEMBL21964478 1.00 PIK3CD (0.34) PIK3CDLMNACYP2C9DPP4DPP8
SCHEMBL17660661 1.00 PIK3CD (0.34) PIK3CDLMNACYP2C9DPP4DPP8
SCHEMBL20363145 1.00 PIK3CD (0.34) PIK3CDLMNACYP2C9DPP4DPP8
SCHEMBL17660673 1.00 PIK3CD (0.34) PIK3CDLMNACYP2C9DPP4DPP8
SCHEMBL16480495 1.00 PIK3CD (0.34) PIK3CDLMNACYP2C9DPP4DPP8
SCHEMBL23169001 0.82 PIK3CD (0.32) PIK3CD
SCHEMBL25761652 0.79 PHGDH (0.32) LMNACYP2C9
SCHEMBL24086860 0.79 MAPT (0.37)
SCHEMBL20457822 0.79 PIK3CD (0.31) PIK3CD

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-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 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-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 PIK3CD 999/4885LMNA 4696/4885CYP2C9 1894/4885

“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.