SCHEMBL5929210

SCHEMBL5929210

CCCCn1c(-c2c(CC)cccc2CC)nc(-c2cccnc2)c1CN1CCCCC1C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.35
▸ POLB P06746 1/20 0.35
▸ P2RX7 Q99572 1/20 0.34
▸ CCR5 P51681 1/20 0.34
▸ HRH3 Q9Y5N1 2/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ GAA P10253 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ CRHBP P24387 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33
▸ CYP3A4 P08684 3/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ KCNH2 Q12809 2/20 0.33

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
SCHEMBL5929000 0.91 CYP3A4 (0.34) KDM4EPOLBKMT2AMEN1LMNA
SCHEMBL5929118 0.90 KMT2A (0.36) KDM4EPOLBP2RX7KMT2AALDH1A1
SCHEMBL5929030 0.87 KDM4E (0.36) KDM4EPOLBP2RX7HRH3KMT2A
SCHEMBL5929137 0.85 ADORA2B (0.38) KDM4EPOLBALDH1A1GAAHPGD
SCHEMBL5929060 0.82 CYP3A4 (0.36) KDM4EPOLBKMT2AMEN1LMNA
SCHEMBL5928992 0.82 CYP3A4 (0.36) KDM4EPOLBKMT2AMEN1LMNA
SCHEMBL5929127 0.80 ALDH1A1 (0.35) KDM4EKMT2AMEN1ALDH1A1CYP3A4
SCHEMBL5929181 0.78 KMT2A (0.34) KDM4EPOLBKMT2AMEN1ALDH1A1
SCHEMBL5929022 0.78 CYP3A4 (0.38) KDM4EPOLBKMT2AMEN1LMNA
SCHEMBL5928969 0.77 HCRTR1 (0.37) KDM4EHRH3ALDH1A1HPGDHSD17B10

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-20060154917-A1 Substituted (heterocycloalkyl)methyl azole derivatives as c5a receptor modulators NEUROGEN CORPORATION (US) 2006-07-13 — — 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-20060154917-A1 Substituted (heterocycloalkyl)methyl azole derivatives as c5a receptor modulators C5AR1, C5AR2, C3AR1 KDM4E 1762/4885POLB 4751/4885P2RX7 177/4885

“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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