SCHEMBL12801147

SCHEMBL12801147

COC1CCN(C(=O)CN)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 1/20 0.46
CPB2 Q96IY4 1/20 0.46
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
NPC1 O15118 2/20 0.40
KMT2A Q03164 2/20 0.38
RAB9A P51151 1/20 0.38
GNAI3 P08754 1/20 0.37
GNAO1 P09471 1/20 0.37
GNAI1 P63096 1/20 0.37
DPP4 P27487 2/20 0.36
DPP7 Q9UHL4 1/20 0.36
PREP P48147 1/20 0.36
FAP Q12884 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
GAA P10253 1/20 0.36
AOC3 Q16853 1/20 0.35

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
SCHEMBL15808468 0.89 CPN1 (0.41) CPN1CPB2ALDH1A1KDM4ELMNA
SCHEMBL15808550 0.89 CPN1 (0.41) CPN1CPB2ALDH1A1KDM4ELMNA
SCHEMBL2416803 0.83 ALDH1A1 (0.42) ALDH1A1KDM4ELMNAMAPTNPC1
SCHEMBL6042585 0.82 ALDH1A1 (0.44) ALDH1A1KDM4ELMNAMAPTNPC1
SCHEMBL5986894 0.82 ALDH1A1 (0.47) ALDH1A1KDM4ELMNAMAPTNPC1
SCHEMBL10305114 0.82 EPHX2 (0.49) ALDH1A1KDM4ELMNAMAPTNPC1
SCHEMBL20900695 0.81 CPN1 (0.47) CPN1CPB2ALDH1A1MAPTNPC1
SCHEMBL17320541 0.81 CPN1 (0.46) CPN1CPB2ALDH1A1NPC1RAB9A
SCHEMBL12789861 0.81 ALDH1A1 (0.63) ALDH1A1KDM4ELMNAMAPTNPC1
SCHEMBL13851058 0.81 KMT2A (0.51) ALDH1A1KDM4ELMNAMAPTNPC1

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
EP-3152210-B1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2023-07-05 EP disclosed
US-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON ALZHEIMER'S INSTITUTE OF AMERICA (US) 2015-12-10 US disclosed
US-20150344473-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2015-12-03 US disclosed
WO-2011046970-A1 AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON MYREXIS, INC. (US) 2011-04-21 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-20150344473-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS CPN1 3037/4885CPB2 3921/4885ALDH1A1 4260/4885
US-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON TBK1, NFKBIA, CHUK CPN1 3532/4885CPB2 3105/4885ALDH1A1 4754/4885

“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.