SCHEMBL18675855

SCHEMBL18675855

CCOC(=O)N1CCC[C@@H]1C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.66
DUT P33316 2/20 0.51
NPY2R P49146 6/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
ATM Q13315 1/20 0.44
HCRTR2 O43614 1/20 0.43
ABHD11 Q8NFV4 1/20 0.42
DAGLA Q9Y4D2 1/20 0.42
TSHR P16473 1/20 0.42
ACE P12821 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL15456860 1.00 LMNA (0.66) LMNADUTNPY2RL3MBTL1ATM
SCHEMBL26398494 0.90 LMNA (0.55) LMNADUTNPY2RL3MBTL1HCRTR2
SCHEMBL26398497 0.90 LMNA (0.55) LMNADUTNPY2RL3MBTL1HCRTR2
SCHEMBL15456867 0.86 LMNA (0.49) LMNANPY2RTSHRMEN1KMT2A
SCHEMBL20208338 0.84 LMNA (0.70) LMNADUTL3MBTL1ATMHCRTR2
SCHEMBL3934708 0.82 LMNA (0.44) LMNADUTMEN1KMT2AKDM4E
SCHEMBL21330372 0.82 LMNA (0.74) LMNADUTL3MBTL1ATMMEN1
SCHEMBL21330374 0.82 LMNA (0.74) LMNADUTL3MBTL1ATMMEN1
SCHEMBL5266516 0.79 LMNA (0.70) LMNADUTL3MBTL1ATMMEN1
SCHEMBL23052661 0.79 DUT (0.54) LMNADUTL3MBTL1

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-9670225-B2 HIV-1 protease inhibitors and uses thereof PURDUE RESEARCH FOUNDATION (US) 2017-06-06 US disclosed
US-9670225-B2 HIV-1 protease inhibitors and uses thereof PURDUE RESEARCH FOUNDATION (US) 2017-06-06 US disclosed
US-20170088555-A1 HIV-1 PROTEASE INHIBITORS AND USES THEREOF PURDUE RESEARCH FOUNDATION 2017-03-30 US disclosed
US-20170088555-A1 HIV-1 PROTEASE INHIBITORS AND USES THEREOF PURDUE RESEARCH FOUNDATION 2017-03-30 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-20170088555-A1 HIV-1 PROTEASE INHIBITORS AND USES THEREOF PRSS1, XPNPEP1, CTRL LMNA 2415/4885DUT 3036/4885NPY2R 3054/4885

“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.