SCHEMBL17207481

SCHEMBL17207481

CCC1CCC(c2ccc(Cl)c(Cl)c2)=N1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.39
▸ SLC6A3 Q01959 3/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MAPK10 P53779 1/20 0.35
▸ EGFR P00533 2/20 0.35
▸ MAP3K14 Q99558 1/20 0.35
▸ PGR P06401 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
SCHEMBL15832432 0.73 TSHR (0.46) SLC6A3LMNATSHREGFRMAP3K14
SCHEMBL14457868 0.71 EGFR (0.45) AHRSLC6A3HPGDNPSR1EGFR
SCHEMBL24363905 0.70 AHR (0.41) AHRSLC6A3NPC1LMNAHPGD
SCHEMBL17207479 0.69 HTR1A (0.34) NPC1
SCHEMBL22040181 0.66 NISCH (0.41) PGR
SCHEMBL22039759 0.66 NISCH (0.41) PGR
SCHEMBL19873024 0.65 MAOB (0.54) AHRNPC1LMNARAB9AMAPK10
SCHEMBL1977761 0.62 CHRNB4 (0.54) AHRSLC6A3HPGDNPSR1PGR
SCHEMBL29769221 0.61 AHR (1.00) AHRNPC1TSHRRAB9A
SCHEMBL137915 0.61 AHR (1.00) AHRNPC1TSHRRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150307496-A1 NOVEL TRICYCLIC 3,4-DIHYDRO-2H-PYRIDO[1,2-a]PYRAZINE-1,6-DIONE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-10-29 — — 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-20150307496-A1 NOVEL TRICYCLIC 3,4-DIHYDRO-2H-PYRIDO[1,2-a]PYRAZINE-1,6-DIONE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 AHR 1978/4885SLC6A3 4775/4885NPC1 1025/4885

“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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