SCHEMBL971145

SCHEMBL971145

Brc1ccccc1C1CC=CCC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.40
BRD4 O60885 1/20 0.40
MAP1LC3B Q9GZQ8 1/20 0.37
HTR2C P28335 4/20 0.37
HTR2B P41595 4/20 0.37
SLC6A2 P23975 2/20 0.36
HTR2A P28223 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 1/20 0.36
ALDH1A1 P00352 3/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RCOR1 Q9UKL0 1/20 0.33
RAB9A P51151 1/20 0.32

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
SCHEMBL968177 0.86 KDM1A (0.47) KDM1ABRD4MAP1LC3BHTR2CHTR2B
SCHEMBL21336326 0.77 CASP1 (0.33) ALDH1A1CYP3A4LMNASMN1; SMN2
SCHEMBL30217494 0.77 KDM1A (0.41) KDM1AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL10336974 0.77 RAB9A (0.41) HTR2CHTR2BHTR2AALDH1A1CYP3A4
SCHEMBL31053095 0.77 HTR2C (0.52) KDM1AHTR2CHTR2BSLC6A2HTR2A
SCHEMBL5406701 0.77 DPP4 (0.49) HTR2CHTR2BHTR2ASMN1; SMN2
SCHEMBL29557462 0.77 HTR2C (0.52) KDM1AHTR2CHTR2BSLC6A2HTR2A
SCHEMBL10046437 0.77 KDM1A (0.50) KDM1ABRD4MAP1LC3BHTR2CHTR2B
SCHEMBL29427088 0.77 KDM1A (0.50) KDM1ABRD4MAP1LC3BHTR2CHTR2B
SCHEMBL10740295 0.73 LMNA (0.40) ALDH1A1LMNAHTTSMN1; SMN2RAB9A

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 560/4885MAP1LC3B 264/4885
US-20110009395-A1 BACE INHIBITORS BACE1, BACE2, APP KDM1A 1158/4885BRD4 560/4885MAP1LC3B 264/4885

“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.