SCHEMBL10191645

SCHEMBL10191645

c1cc2c(cc1CN1CCCCC1)OC1(CCN(C3CCC3)CC1)C2

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HRH3 Q9Y5N1 15/20 0.43
L3MBTL3 Q96JM7 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MBTD1 Q05BQ5 1/20 0.41
TP53BP1 Q12888 1/20 0.41
TSHR P16473 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
SCHEMBL863582 0.99 HRH3 (0.43) MEN1KMT2AHRH3L3MBTL3L3MBTL1
SCHEMBL863268 0.91 HRH3 (0.47) MEN1KMT2AHRH3TSHR
SCHEMBL864437 0.90 HRH3 (0.48) HRH3
SCHEMBL10191862 0.86 MEN1 (0.45) MEN1KMT2AHRH3L3MBTL3L3MBTL1
SCHEMBL7847171 0.85 HRH3 (0.45) HRH3
SCHEMBL863860 0.82 HRH3 (0.52) HRH3
SCHEMBL864728 0.82 HRH3 (0.44) HRH3
SCHEMBL10192272 0.81 MEN1 (0.43) MEN1KMT2AHRH3L3MBTL3L3MBTL1
SCHEMBL10192274 0.81 MEN1 (0.43) MEN1KMT2AHRH3L3MBTL3L3MBTL1
SCHEMBL863829 0.79 HRH3 (0.46) MEN1KMT2AHRH3L3MBTL3L3MBTL1

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-20120077802-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-03-29 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-20120077802-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 MEN1 1150/4885KMT2A 559/4885HRH3 1/4885

“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.