SCHEMBL891894

SCHEMBL891894

CC(C)(C)OC(=O)N(CCN)C1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.41
CTSD P07339 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RECQL P46063 1/20 0.34
AAK1 Q2M2I8 1/20 0.31
GPR119 Q8TDV5 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
SCHEMBL14690784 0.89 DPP4 (0.36) GPR119
SCHEMBL24577516 0.88 DPP4 (0.37)
SCHEMBL27623896 0.86 DPP4 (0.36)
SCHEMBL13207042 0.84 PIK3CD (0.40) PIK3CDCTSDCTSLCTSBCTSS
SCHEMBL18928463 0.83 PIK3CD (0.44) PIK3CDCTSDCTSLCTSBCTSS
SCHEMBL4973584 0.82 PIK3CD (0.43) PIK3CDCTSDCTSLCTSBCTSS
SCHEMBL3494029 0.81 PIK3CD (0.38) PIK3CDCTSDCTSLCTSBCTSS
SCHEMBL2585142 0.81 PIK3CD (0.42) PIK3CDCTSDCTSLCTSBCTSS
SCHEMBL1700621 0.80 DPP4 (0.34)
SCHEMBL2082167 0.79 CA14 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120083489-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS GLAXOSMITHKLINE LLC 2012-04-05 US disclosed
US-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 US disclosed
US-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 US disclosed
WO-2007094513-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 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-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension REN, AGTR1, AGTR2 PIK3CD 4403/4885CTSD 2785/4885CTSL 624/4885
US-20120083489-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R PIK3CD 3801/4885CTSD 4182/4885CTSL 3882/4885

“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.