SCHEMBL18975224

SCHEMBL18975224

C=CNCCCCOC(=O)c1c[nH]c2cc(F)cc(OC)c12

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPK1 P28482 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
SCHEMBL18975057 0.89 KCNH2 (0.40) KMT2AHDAC6KDM4EMAPK1
SCHEMBL18974975 0.88 KMT2A (0.38) KMT2AKDM4E
SCHEMBL18975003 0.88 KCNH2 (0.34) —
SCHEMBL18975208 0.85 KMT2A (0.36) KMT2A
SCHEMBL18975231 0.81 JAK3 (0.38) —
SCHEMBL18975226 0.81 MAPT (0.36) KMT2A
SCHEMBL18974960 0.81 RAB9A (0.41) KMT2AKDM4EMAPK1
SCHEMBL18974973 0.80 NR4A2 (0.41) KMT2A
SCHEMBL18975248 0.80 MTNR1A (0.38) KMT2A
SCHEMBL18974962 0.79 KCNH2 (0.41) —

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-20170166561-A1 QUINUCLIDINE COMPOUNDS FOR MODULATING ALPHA7-NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY ALPHARMAGEN LLC (US) 2017-06-15 — — 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-20170166561-A1 QUINUCLIDINE COMPOUNDS FOR MODULATING ALPHA7-NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY CHRNA7, CHRNA2, CHRNA6 KMT2A 2566/4885HDAC6 395/4885KDM4E 3528/4885

“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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