SCHEMBL3519226

SCHEMBL3519226

Cn1c(COC2CCCCO2)nn(CC2CO2)c1=O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDE8B O95263 4/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HBB P68871 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ HTR2C P28335 2/20 0.30
▸ SLC6A4 P31645 2/20 0.30
▸ HTR2A P28223 1/20 0.30
▸ P2RX3 P56373 1/20 0.30

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
SCHEMBL25162079 0.76 P2RX3 (0.33) MEN1KMT2AP2RX3
SCHEMBL3522758 0.72 MEN1 (0.35) MEN1KMT2AP2RX3
SCHEMBL21469054 0.68 P2RX3 (0.35) MEN1KMT2AP2RX3
SCHEMBL3525182 0.68 TP53 (0.47) TP53HBBSMN1; SMN2MEN1KMT2A
SCHEMBL3525181 0.68 TP53 (0.47) TP53HBBSMN1; SMN2MEN1KMT2A
SCHEMBL21468904 0.66 MEN1 (0.32) MEN1KMT2A
SCHEMBL19299872 0.65 KDM4C (0.35) MEN1KMT2AHTR2CSLC6A4HTR2A
SCHEMBL3521168 0.64 TP53 (0.40) PDE8BTP53HBBSMN1; SMN2
SCHEMBL25290081 0.64 KDM4C (0.32) MEN1KMT2A
SCHEMBL25515657 0.64 CDK4 (0.33) MEN1KMT2AP2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252810-B2 Bicycloamine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-28 — — US disclosed
US-8252810-B2 Bicycloamine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-28 — — US disclosed
US-8252810-B2 Bicycloamine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-28 — — US disclosed
US-20100331310-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-30 — — US disclosed
US-20100331310-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-30 — — US disclosed
US-20100331310-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-30 — — US disclosed
EP-2241567-A1 BICYCLOAMINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2010-10-20 — — EP disclosed
US-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 — — US disclosed
US-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 — — US disclosed
US-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 — — US disclosed
WO-2009101917-A1 BICYCLOAMINE DERIVATIVE EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-08-20 — — WO 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 (2 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-20100331310-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 PDE8B 2446/4885TP53 4878/4885HBB 3033/4885
US-20090270369-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 PDE8B 2446/4885TP53 4878/4885HBB 3033/4885

“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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