SCHEMBL6645453

SCHEMBL6645453

CN1CCN(Cc2cc3ccccc3c(=O)[nH]2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.68
▸ LOXL2 Q9Y4K0 1/20 0.53
▸ GAA P10253 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ TNKS O95271 4/20 0.51
▸ ERN1 O75460 1/20 0.50
▸ PARP1 P09874 1/20 0.49
▸ HTR3A P46098 1/20 0.47
▸ HTR6 P50406 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ MC4R P32245 1/20 0.45
▸ CHKA P35790 1/20 0.45
▸ APAF1 O14727 1/20 0.45
▸ CDC25B P30305 1/20 0.45
▸ CASP3 P42574 1/20 0.45
▸ SENP8 Q96LD8 1/20 0.45
▸ SENP7 Q9BQF6 1/20 0.45
▸ PDGFRB P09619 1/20 0.44
▸ FGFR1 P11362 1/20 0.44
▸ KDR P35968 1/20 0.44

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
SCHEMBL6645402 0.85 LOXL2 (0.55) HRH4LOXL2GAAKDM4EERN1
SCHEMBL6646518 0.85 LOXL2 (0.55) HRH4LOXL2GAAKDM4EERN1
SCHEMBL6646824 0.85 HRH4 (0.49) HRH4LOXL2GAAKDM4ETNKS
SCHEMBL13499601 0.81 HRH4 (1.00) HRH4
SCHEMBL6646122 0.78 APAF1 (0.59) TNKSPARP1HTR3AAPAF1CDC25B
SCHEMBL6643929 0.75 HRH3 (0.67) LOXL2GAAKDM4EPARP1APAF1
SCHEMBL2511838 0.75 ERN1 (0.64) HRH4GAAKDM4EERN1HTR3A
SCHEMBL22639886 0.75 GAA (0.73) GAAKDM4EHTR3APOLBNPSR1
SCHEMBL6648629 0.74 HRH3 (0.65) LOXL2GAAKDM4EPARP1APAF1
SCHEMBL4071837 0.74 PARP1 (0.52) HRH4GAAKDM4ETNKSERN1

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
US-20040176361-A1 Fused heterocyclic compound and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-09-09 — — US claimed
EP-1396488-A1 FUSED HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2004-03-10 — — EP claimed
US-20040176361-A1 Fused heterocyclic compound and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-09-09 — — US disclosed
EP-1396488-A1 FUSED HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2004-03-10 — — EP 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-20040176361-A1 Fused heterocyclic compound and medicinal use thereof PARP11, PARP1, CD38 HRH4 2085/4885LOXL2 4680/4885GAA 379/4885

“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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