SCHEMBL11075326

SCHEMBL11075326

CCn1cc(C)c2cc(C)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNB4 O00305 4/20 0.39
CACNA1A O00555 4/20 0.39
CACNA1G O43497 4/20 0.39
CACNG3 O60359 4/20 0.39
CACNA1F O60840 4/20 0.39
CACNA1H O95180 4/20 0.39
CACNB3 P54284 4/20 0.39
CACNA2D1 P54289 4/20 0.39
CACNG7 P62955 4/20 0.39
CACNA1B Q00975 4/20 0.39
CACNA1D Q01668 4/20 0.39
CACNB1 Q02641 4/20 0.39
CACNG1 Q06432 4/20 0.39
CACNB2 Q08289 4/20 0.39
CACNA1S Q13698 4/20 0.39
CACNA1C Q13936 4/20 0.39
CACNA1E Q15878 4/20 0.39
CACNA2D4 Q7Z3S7 4/20 0.39
CACNA2D3 Q8IZS8 4/20 0.39
CACNG8 Q8WXS5 4/20 0.39

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
SCHEMBL11086354 0.85 SLC22A12 (0.46) L3MBTL1SLC22A12MAP3K5
SCHEMBL13539150 0.82 PGR (0.48) PGRRORARORCRORB
SCHEMBL16729587 0.82 PTGDR2 (0.44) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL15704178 0.81 LMNA (0.42) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL15704208 0.81 KRAS (0.44) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL24824798 0.81 CYP19A1 (0.44) KDM4EL3MBTL1HTR6ALDH1A1MAPT
SCHEMBL10655507 0.81 CACNB4 (0.47) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL16727205 0.81 PTGER4 (0.43) KDM4EHSD17B10L3MBTL1LMNAALDH1A1
SCHEMBL15704199 0.81 CACNB4 (0.41) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL29200982 0.81 KDM4E (0.47) KDM4EHSD17B10LMNAHTR6ALDH1A1

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 8 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-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
US-7648738-B2 for photopolymerization; photography, relief imaging; color filters CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-01-19 US disclosed
US-7648738-B2 for photopolymerization; photography, relief imaging; color filters CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-01-19 US disclosed
EP-1567518-B1 OXIME ESTER PHOTOINITIATORS WITH HETEROAROMATIC GROUPS CIBA HOLDING INC (CH) 2009-01-14 EP disclosed
US-4443615-A ANILINE, GLYCOL OR EPOXIDE, SILICA AND/OR ALUMINA CATALYST TANABE SEIYAKU CO., LTD. (JP) 1984-04-17 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 CACNB4 1722/4885CACNA1A 487/4885CACNA1G 830/4885

“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.