SCHEMBL16727010

SCHEMBL16727010

Cc1cc(CCl)cc(OCC2CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.40
CTRC Q99895 1/20 0.40
KAT6A Q92794 1/20 0.37
SLC6A2 P23975 2/20 0.37
LMNA P02545 1/20 0.37
MAOA P21397 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4D Q08499 1/20 0.36
PARP15 Q460N3 2/20 0.36
PARP10 Q53GL7 2/20 0.36
SLC6A4 P31645 1/20 0.36
HTR3A P46098 1/20 0.36
KCNH2 Q12809 1/20 0.36
F10 P00742 1/20 0.35
PRSS2 P07478 1/20 0.35
EP300 Q09472 1/20 0.35
PARP2 Q9UGN5 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
SCHEMBL20204756 0.85 F2 (0.39) F2CTRCKAT6ASLC6A2LMNA
SCHEMBL16727170 0.84 LMNA (0.47) F2CTRCKAT6ASLC6A2LMNA
SCHEMBL14191944 0.82 KAT6A (0.39) F2CTRCKAT6ASLC6A2LMNA
SCHEMBL20206855 0.79 F2 (0.44) F2CTRCKAT6ASLC6A2LMNA
SCHEMBL14605609 0.78 THRB (0.50) F2CTRCKAT6APARP15PARP10
SCHEMBL2812839 0.76 RBP4 (0.37) MAOAPARP15PARP10
SCHEMBL18374006 0.76 KAT6A (0.44) F2CTRCKAT6ASLC6A2LMNA
SCHEMBL17320997 0.76 OPRM1 (0.36) KAT6ASLC6A2SLC6A4KCNH2
SCHEMBL21350287 0.73 F2 (0.40) F2CTRCKAT6ASLC6A2LMNA
SCHEMBL8315554 0.73 PARP15 (0.51) PARP15PARP10PARP2

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-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 F2 563/4885CTRC 2742/4885KAT6A 3272/4885

“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.