SCHEMBL5929118

SCHEMBL5929118

CCc1cccc(CC)c1-c1nc(-c2cccnc2)c(CN2CCCCC2C2CCCCC2)n1CCOC

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ ACHE P22303 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ ACVR1 Q04771 7/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ P2RX7 Q99572 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CRHBP P24387 1/20 0.33
▸ CRHR2 Q13324 1/20 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
SCHEMBL5929127 0.91 ALDH1A1 (0.35) KMT2AALDH1A1KDM4ECYP3A4
SCHEMBL5929210 0.90 KDM4E (0.35) KMT2AGAAALDH1A1KDM4EACHE
SCHEMBL5929181 0.88 KMT2A (0.34) KMT2AALDH1A1KDM4EPOLBCYP3A4
SCHEMBL5928969 0.87 HCRTR1 (0.37) ALDH1A1KDM4E
SCHEMBL5929030 0.85 KDM4E (0.36) KMT2AGAAALDH1A1KDM4EPOLB
SCHEMBL5929059 0.83 KDM4E (0.33) KMT2AALDH1A1KDM4ENPSR1
SCHEMBL5929248 0.83 KDM4E (0.33) KMT2AALDH1A1KDM4ERECQL
SCHEMBL5929000 0.81 CYP3A4 (0.34) KMT2AALDH1A1KDM4EPOLBCYP3A4
SCHEMBL5929310 0.75 KMT2A (0.38) KMT2AGAAALDH1A1KDM4E
SCHEMBL5929061 0.72 POLB (0.39) KMT2AGAAALDH1A1KDM4EACHE

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 KMT2A 2955/4885GAA 4885/4885ALDH1A1 3884/4885

“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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