SCHEMBL1475516

SCHEMBL1475516

c1cc2c(c(CCC3CCNCC3)c1)OCC2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 7/20 0.47
▸ SLC6A2 P23975 3/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ PARP1 P09874 1/20 0.37
▸ NMT1 P30419 1/20 0.37
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.35
▸ HRH1 P35367 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ CHRM4 P08173 1/20 0.35
▸ ATM Q13315 1/20 0.34
▸ GBA1 P04062 1/20 0.34
▸ KDM1A O60341 1/20 0.34

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
SCHEMBL5780200 0.77 EED (0.56) SLC6A4NMT1HRH3GBA1
SCHEMBL8695905 0.77 SLC6A2 (0.49) SLC6A4SLC6A2KCNH2PARP1HTR2A
SCHEMBL12748450 0.75 KCNH2 (0.45) SLC6A4SLC6A2KCNH2PARP1HTR2A
Hydrochloric Acid SCHEMBL1477630 0.74 KCNH2 (0.44) SLC6A4SLC6A2KCNH2PARP1HTR2A
SCHEMBL27199259 0.72 PARP1 (0.49) SLC6A4SLC6A2KCNH2PARP1HTR2A
SCHEMBL294927 0.72 PARP1 (0.45) SLC6A4SLC6A2KCNH2PARP1HTR2A
SCHEMBL3364106 0.72 PARP1 (0.49) SLC6A4SLC6A2KCNH2PARP1HTR2A
SCHEMBL10275022 0.72 PARP1 (0.45) SLC6A4SLC6A2KCNH2PARP1HTR2A
SCHEMBL614437 0.72 HTR1A (0.46) SLC6A4SLC6A2KCNH2PARP1HTR2C
SCHEMBL31561757 0.70 PARP1 (0.46) SLC6A4SLC6A2KCNH2PARP1HTR2A

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-7915274-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-03-29 — — US disclosed
US-20070293496-A1 Nitrogen containing heterocyclic compounds and medicines containing the same OZAKI FUMIHIRO 2007-12-20 — — US disclosed
US-7265108-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI CO., LTD. (JP) 2007-09-04 — — US disclosed
EP-1484327-B1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINE THEREOF EISAI R&D MAN CO LTD (JP) 2007-08-01 — — EP disclosed
US-6995144-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI CO., LTD. (JP) 2006-02-07 — — US disclosed
US-20050245527-A1 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-03 — — US disclosed
EP-1484327-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINE THEREOF Eisai Co., Ltd. (JP) 2004-12-08 — — EP disclosed
US-20040167224-A1 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-08-26 — — 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 (3 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-20070293496-A1 Nitrogen containing heterocyclic compounds and medicines containing the same XDH, NQO1, CYP1A1 SLC6A4 826/4885SLC6A2 1216/4885KCNH2 451/4885
US-20040167224-A1 Nitrogen containing heterocyclic compounds and medicines containing the same NQO1, CBR1, NOX1 SLC6A4 789/4885SLC6A2 1196/4885KCNH2 762/4885
US-20050245527-A1 Nitrogen containing heterocyclic compounds and medicines containing the same XDH, NQO1, CYP1A1 SLC6A4 826/4885SLC6A2 1216/4885KCNH2 451/4885

“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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