SCHEMBL16727170

SCHEMBL16727170

Cc1cc(C)cc(OCC2CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
MAOA P21397 1/20 0.47
SLC6A2 P23975 1/20 0.47
F2 P00734 4/20 0.43
CTRC Q99895 1/20 0.43
KAT6A Q92794 1/20 0.42
PARP15 Q460N3 2/20 0.42
PARP10 Q53GL7 2/20 0.42
PARP2 Q9UGN5 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4D Q08499 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.40
RIPK1 Q13546 1/20 0.40

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
SCHEMBL18481622 0.87 LMNA (0.45) LMNAMAOASLC6A2F2CTRC
SCHEMBL18374006 0.87 KAT6A (0.44) LMNAMAOASLC6A2F2CTRC
SCHEMBL20206855 0.87 F2 (0.44) LMNAMAOASLC6A2F2CTRC
SCHEMBL20204756 0.85 F2 (0.39) LMNAMAOASLC6A2F2CTRC
SCHEMBL21350287 0.84 F2 (0.40) LMNAMAOASLC6A2F2CTRC
SCHEMBL16727010 0.84 F2 (0.40) LMNAMAOASLC6A2F2CTRC
SCHEMBL18483009 0.84 LMNA (0.43) LMNAMAOASLC6A2F2CTRC
SCHEMBL25325329 0.82 F2 (0.40) LMNAMAOASLC6A2F2CTRC
SCHEMBL16729424 0.82 F2 (0.43) LMNAMAOASLC6A2F2CTRC
SCHEMBL29955997 0.82 F2 (0.40) LMNAMAOASLC6A2F2CTRC

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
WO-2018128720-A1 URACIL CONTAINING COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-07-12 WO disclosed
WO-2018098207-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed
US-9181245-B2 Substituted pyrido[1,2-a]pyrazines and substituted pyrido[1,2-a][1,4]diazepines for the treatment of (inter alia) Alzheimer's disease Janssen Pharmaceuticals, Inc. (US) 2015-11-10 US disclosed
US-20150141411-A1 SUBSTITUTED 3,4-DIHYDRO-2H-PYRIDO[1,2-A]PYRAZINE-1,6-DIONE DERIVATIVES USEFUL FOR THE TREATMENT OF (INTER ALIA) ALZHEIMER'S DISEASE CELLZOME LIMITED (GB) 2015-05-21 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-20150141411-A1 SUBSTITUTED 3,4-DIHYDRO-2H-PYRIDO[1,2-A]PYRAZINE-1,6-DIONE DERIVATIVES USEFUL FOR THE TREATMENT OF (INTER ALIA) ALZHEIMER'S DISEASE BACE1, PSEN1, BACE2 LMNA 772/4885MAOA 67/4885SLC6A2 4524/4885

“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.