SCHEMBL21360477

SCHEMBL21360477

Clc1ccc(-c2nc3ccccn3c2CN2CC3CN(CC4CCCCC4)CC3C2)cc1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 17/20 0.72
▸ KCNK9 Q9NPC2 17/20 0.72
▸ KDM4E B2RXH2 3/20 0.67
▸ GAA P10253 1/20 0.59
▸ SLC2A1 P11166 1/20 0.59

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
SCHEMBL21360478 0.84 KCNK3 (1.00) KCNK3KCNK9
SCHEMBL29458055 0.82 KCNK3 (0.67) KCNK3KCNK9KDM4EGAASLC2A1
SCHEMBL18978247 0.82 KDM4E (0.67) KCNK3KCNK9KDM4EGAASLC2A1
Hydrochloric Acid SCHEMBL20591029 0.81 KDM4E (0.65) KCNK3KCNK9KDM4EGAASLC2A1
SCHEMBL25423903 0.81 KCNK3 (0.76) KCNK3KCNK9
SCHEMBL22916193 0.80 KDM4E (0.67) KCNK3KCNK9KDM4EGAASLC2A1
Hydrochloric Acid SCHEMBL31448417 0.79 KDM4E (0.65) KCNK3KCNK9KDM4EGAASLC2A1
SCHEMBL19807662 0.79 KDM4E (0.65) KCNK3KCNK9KDM4EGAASLC2A1
SCHEMBL22381437 0.78 KCNK3 (0.71) KCNK3KCNK9KDM4EGAASLC2A1
SCHEMBL22636021 0.78 KCNK3 (0.77) KCNK3KCNK9KDM4E

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-10414765-B2 Substituted perhydropyrrolo[3,4-c]pyrrole derivatives and the use of same BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-09-17 — — 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-10414765-B2 Substituted perhydropyrrolo[3,4-c]pyrrole derivatives and the use of same PAH, EGLN3, HYOU1 KCNK3 1716/4885KCNK9 2925/4885KDM4E 464/4885

“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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