SCHEMBL16727003

SCHEMBL16727003

COC(=O)c1cc(CC2CC2)cc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.55
▸ CNR1 P21554 1/20 0.43
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ RHOA P61586 1/20 0.39
▸ PRKCA P17252 1/20 0.39
▸ PRKCD Q05655 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.38
▸ KCNH2 Q12809 2/20 0.38
▸ CACNA1I Q9P0X4 1/20 0.38
▸ CCR2 P41597 1/20 0.38
▸ PAX8 Q06710 1/20 0.38
▸ CFTR P13569 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CES2 O00748 1/20 0.38
▸ CNR2 P34972 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ TACR1 P25103 1/20 0.37

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
SCHEMBL17703914 0.84 RXRA (0.47) RHOAMEN1KMT2AKCNH2CACNA1I
SCHEMBL23531175 0.82 MRGPRX4 (0.47) MRGPRX4MEN1KMT2ACES2TACR1
SCHEMBL2770270 0.81 NOTUM (0.62) NOTUMCNR1MRGPRX4PRKCAPRKCD
SCHEMBL21711972 0.80 NOTUM (0.60) NOTUMCNR1MRGPRX4PRKCAPRKCD
SCHEMBL21712070 0.80 NOTUM (0.65) NOTUMCNR1MRGPRX4PRKCAPRKCD
SCHEMBL16727002 0.80 NOTUM (0.60) NOTUMCNR1MRGPRX4PRKCAPRKCD
SCHEMBL21609780 0.78 NOTUM (0.52) NOTUMCNR1
SCHEMBL18614949 0.78 NOTUM (0.59) NOTUMCNR1MRGPRX4PRKCAPRKCD
SCHEMBL25371502 0.78 NOTUM (0.48) NOTUMMEN1KMT2AHSD17B10
SCHEMBL475762 0.78 NOTUM (0.77) NOTUMCNR1HSD17B10CFTRTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2850083-B1 SUBSTITUTED 3,4-DIHYDRO-2H-PYRIDO[1,2-A]PYRAZINE-1,6-DIONE DERIVATIVES USEFUL FOR THE TREATMENT OF (INTER ALIA) ALZHEIMER'S DISEASE JANSSEN PHARMACEUTICALS INC (US) 2016-04-27 — — EP 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-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
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 NOTUM 1574/4885CNR1 612/4885MRGPRX4 2010/4885

“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.

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