SCHEMBL5954538

SCHEMBL5954538

CN1CCN(Cc2nccc(Oc3cccc4ccn(C)c34)n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHKA P35790 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ TNKS O95271 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ TNKS2 Q9H2K2 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HIF1A Q16665 1/20 0.35
▸ USP2 O75604 1/20 0.34
▸ HTR1A P08908 3/20 0.34
▸ HTR1D P28221 3/20 0.34
▸ HTR1B P28222 3/20 0.34
▸ ADRB2 P07550 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ HTR1F P30939 1/20 0.34
▸ HTR7 P34969 1/20 0.34
▸ ADRA1B P35368 1/20 0.34

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
SCHEMBL5953966 0.81 ACHE (0.42) USP2PTK2
SCHEMBL5124540 0.80 CHRM5 (0.36) CHKAMEN1KMT2AL3MBTL1TNKS
SCHEMBL5953991 0.80 CYP2D6 (0.39) MEN1KMT2AL3MBTL1TSHRKDM4E
SCHEMBL5954597 0.79 HTR7 (0.35) KDM4EHTR1BHTR7
SCHEMBL5954527 0.74 IKBKB (0.46) PTK2
SCHEMBL1936492 0.70 MAPK14 (0.44) TNKSPARP1TNKS2PTK2
SCHEMBL5954423 0.70 ALDH1A1 (0.46) MEN1KMT2ATSHRKDM4E
SCHEMBL5954407 0.69 ACHE (0.46) MEN1KMT2AKDM4E
SCHEMBL27930068 0.68 TNKS (0.50) CHKAMEN1KMT2AL3MBTL1TNKS
SCHEMBL13923299 0.67 MC4R (0.52) CHKAMEN1KMT2AL3MBTL1TNKS

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-20060235017-A1 Cytokine Inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-10-19 — — US claimed

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-20060235017-A1 Cytokine Inhibitors IL1B, IL1A, IL1R1 CHKA 2706/4885MEN1 1869/4885KMT2A 4402/4885

“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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