SCHEMBL5928949

SCHEMBL5928949

CCCCn1c(-c2c(CC)cccc2CC)nc(Cl)c1CN1CCCCC1c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.49
▸ ALDH1A1 P00352 5/20 0.49
▸ GAA P10253 2/20 0.49
▸ HTT P42858 2/20 0.49
▸ TSHR P16473 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.46
▸ CRHBP P24387 1/20 0.44
▸ CRHR2 Q13324 1/20 0.44
▸ MEN1 O00255 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ HPGD P15428 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ CHRNB2 P17787 1/20 0.42
▸ CHRNA7 P36544 1/20 0.42
▸ CHRNA4 P43681 1/20 0.42
▸ CFB P00751 1/20 0.40

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
SCHEMBL5929216 0.85 OPRK1 (0.39) KDM4EALDH1A1GAAKMT2AMEN1
SCHEMBL5929004 0.83 KMT2A (0.39) KDM4EALDH1A1GAASMN1; SMN2KMT2A
SCHEMBL5929060 0.82 CYP3A4 (0.36) KDM4EALDH1A1TSHRSMN1; SMN2KMT2A
SCHEMBL5929097 0.82 POLB (0.39) KDM4EKMT2ALMNA
SCHEMBL5929251 0.82 CFB (0.40) KDM4EALDH1A1GAAHTTTSHR
SCHEMBL5929125 0.80 GAA (0.40) KDM4EALDH1A1GAAHTTTSHR
SCHEMBL5928948 0.77 OPRK1 (0.40) KDM4EALDH1A1GAAKMT2AMEN1
SCHEMBL5929210 0.77 KDM4E (0.35) KDM4EALDH1A1GAATSHRKMT2A
SCHEMBL5928941 0.76 KDM4E (0.39) KDM4EALDH1A1KMT2ANPSR1MEN1
SCHEMBL5929301 0.76 KDM4E (0.39) KDM4EALDH1A1KMT2ANPSR1MEN1

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 1762/4885ALDH1A1 3884/4885GAA 4885/4885

“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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