SCHEMBL14733333

SCHEMBL14733333

COc1ccc(N2CC(C)(C)NC2=O)cc1Br

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.50
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
ALDH1A1 P00352 4/20 0.43
MCOLN3 Q8TDD5 2/20 0.40
LMNA P02545 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM1A O60341 1/20 0.36

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
SCHEMBL2333476 0.77 DRD2 (0.45) ARMEN1KMT2AALDH1A1KDM4E
SCHEMBL12444394 0.76 AR (0.50) ARMEN1KMT2AALDH1A1LMNA
SCHEMBL29948080 0.74 MAPT (0.48) MEN1KMT2AALDH1A1MCOLN3LMNA
SCHEMBL28665110 0.74 MAPT (0.48) MEN1KMT2AALDH1A1MCOLN3LMNA
SCHEMBL12444391 0.71 MAPT (0.58) MEN1KMT2AALDH1A1MCOLN3LMNA
SCHEMBL16702383 0.71 AR (0.54) ARMEN1KMT2AALDH1A1KDM4E
SCHEMBL12445267 0.70 PIK3CA (0.46) MEN1KMT2AALDH1A1MCOLN3LMNA
SCHEMBL12444389 0.70 LMNA (0.58) MEN1KMT2AALDH1A1MCOLN3LMNA
SCHEMBL14840552 0.70 AR (0.47) ARRAB9ASMN1; SMN2
SCHEMBL16264819 0.69 AR (0.52) ARMEN1KMT2AALDH1A1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130053372-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED 2013-02-28 US disclosed
US-20130053372-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED 2013-02-28 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-20130053372-A1 5-HT RECEPTOR MODULATORS HTR1B, HTR5A, HTR1A AR 799/4885MEN1 1036/4885KMT2A 2405/4885

“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.