SCHEMBL6648629

SCHEMBL6648629

O=c1[nH]c(CCN2CCCCC2)cc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.65
▸ PARP1 P09874 7/20 0.54
▸ LOXL2 Q9Y4K0 1/20 0.53
▸ CHRNA7 P36544 2/20 0.48
▸ HTR2A P28223 2/20 0.46
▸ HTR2C P28335 2/20 0.46
▸ DRD2 P14416 1/20 0.46
▸ SIGMAR1 Q99720 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
▸ MPO P05164 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ GAA P10253 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
SCHEMBL6645634 1.00 HRH3 (0.65) HRH3PARP1LOXL2CHRNA7HTR2A
SCHEMBL6643929 0.99 HRH3 (0.67) HRH3PARP1LOXL2CHRNA7HTR2A
SCHEMBL6645998 0.92 PARP1 (0.62) HRH3PARP1LOXL2HTR2AAPAF1
SCHEMBL6648966 0.92 PARP1 (0.62) HRH3PARP1LOXL2HTR2AAPAF1
SCHEMBL6646614 0.90 PARP1 (0.60) HRH3PARP1LOXL2APAF1CDC25B
SCHEMBL6646518 0.85 LOXL2 (0.55) HRH3PARP1LOXL2APAF1CDC25B
SCHEMBL6645402 0.85 LOXL2 (0.55) HRH3PARP1LOXL2APAF1CDC25B
SCHEMBL3442699 0.84 CHRNA7 (0.53) HRH3PARP1LOXL2CHRNA7APAF1
SCHEMBL3443091 0.82 KDM4E (0.56) HRH3PARP1LOXL2CHRNA7SIGMAR1
SCHEMBL6646644 0.81 PARP1 (0.62) HRH3PARP1

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 HRH3 2016/4885PARP1 2/4885LOXL2 4680/4885

“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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