SCHEMBL5929216

SCHEMBL5929216

CCCCn1c(-c2c(CC)cccc2CC)nc(Cl)c1CN1CCCCC1c1ccc(OC)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 2/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ KDM4E B2RXH2 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ MAPT P10636 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ IL33 O95760 2/20 0.36
▸ THRB P10828 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ POLB P06746 1/20 0.35

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
SCHEMBL5928948 0.92 OPRK1 (0.40) OPRK1OPRM1KDM4EALDH1A1MAPT
SCHEMBL5928941 0.92 KDM4E (0.39) OPRK1OPRM1KDM4EALDH1A1MAPT
SCHEMBL5929052 0.92 KDM4E (0.39) OPRK1OPRM1KDM4EALDH1A1MAPT
SCHEMBL5929301 0.92 KDM4E (0.39) OPRK1OPRM1KDM4EALDH1A1MAPT
SCHEMBL5929178 0.90 OPRK1 (0.39) OPRK1OPRM1KDM4EALDH1A1MAPT
SCHEMBL5929004 0.90 KMT2A (0.39) KDM4EALDH1A1MAPTRAB9AKMT2A
SCHEMBL5928949 0.85 KDM4E (0.49) KDM4EALDH1A1KMT2AGAAMEN1
SCHEMBL5929097 0.84 POLB (0.39) KDM4EKMT2APOLB
SCHEMBL5929125 0.84 GAA (0.40) KDM4EALDH1A1MAPTRAB9AKMT2A
SCHEMBL5929060 0.82 CYP3A4 (0.36) KDM4EALDH1A1KMT2ADRD2DRD3

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 OPRK1 523/4885OPRM1 580/4885KDM4E 1762/4885

“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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