SCHEMBL968177

SCHEMBL968177

Brc1ccccc1C1CC=CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.47
BRD4 O60885 1/20 0.46
HTR2C P28335 4/20 0.42
HTR2B P41595 4/20 0.42
MAP1LC3B Q9GZQ8 1/20 0.42
SLC6A2 P23975 2/20 0.41
HTR2A P28223 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 1/20 0.41
ALDH1A1 P00352 2/20 0.39
RCOR1 Q9UKL0 1/20 0.38
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL971145 0.86 KDM1A (0.40) KDM1ABRD4HTR2CHTR2BMAP1LC3B
SCHEMBL29427088 0.80 KDM1A (0.50) KDM1ABRD4HTR2CHTR2BMAP1LC3B
SCHEMBL10046437 0.80 KDM1A (0.50) KDM1ABRD4HTR2CHTR2BMAP1LC3B
SCHEMBL2530746 0.74 KDM1A (0.45) KDM1ABRD4HTR2CHTR2BMAP1LC3B
SCHEMBL30626968 0.74 KDM1A (0.45) KDM1ABRD4HTR2CHTR2BMAP1LC3B
SCHEMBL23380370 0.74 HTR2C (0.46) KDM1ABRD4HTR2CHTR2BMAP1LC3B
SCHEMBL28571106 0.73 BRD4 (0.56) KDM1ABRD4HTR2CHTR2BMAP1LC3B
SCHEMBL17892133 0.73 KDM1A (0.59) KDM1ABRD4HTR2CHTR2BMAP1LC3B
SCHEMBL9614433 0.71 MEN1 (0.42) HTR2CHTR2BSLC6A2HTR2ASLC6A4
SCHEMBL5584663 0.71 KDM1A (0.42) KDM1ABRD4HTR2CHTR2BMAP1LC3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2451793-B1 BACE INHIBITORS LILLY CO ELI (US) 2016-11-02 EP disclosed
US-20120323001-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2012-12-20 US disclosed
US-8278441-B2 BACE inhibitors ELI LILLY AND COMPANY (US) 2012-10-02 US disclosed
US-20110009395-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2011-01-13 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 (2 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-20120323001-A1 BACE INHIBITORS BACE1, BACE2, APP KDM1A 1158/4885BRD4 560/4885HTR2C 4531/4885
US-20110009395-A1 BACE INHIBITORS BACE1, BACE2, APP KDM1A 1158/4885BRD4 560/4885HTR2C 4531/4885

“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.