SCHEMBL12540720

SCHEMBL12540720

ON=C1CCC(c2ccc(Br)cc2)C1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 4/20 0.56
BRD4 O60885 1/20 0.37
MAP1LC3B Q9GZQ8 1/20 0.34
KDM1A O60341 5/20 0.33
KCNH2 Q12809 2/20 0.33
MAOB P27338 2/20 0.33
RCOR1 Q9UKL0 2/20 0.33
KDM1B Q8NB78 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CYP19A1 P11511 2/20 0.33
KDM4E B2RXH2 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
SCHEMBL12540716 1.00 ESR2 (0.56) ESR2BRD4MAP1LC3BKDM1AKCNH2
SCHEMBL12540718 1.00 ESR2 (0.56) ESR2BRD4MAP1LC3BKDM1AKCNH2
SCHEMBL15541691 0.81 ESR2 (0.55) ESR2MAP1LC3BKDM4E
SCHEMBL15541693 0.81 ESR2 (0.55) ESR2MAP1LC3BKDM4E
SCHEMBL3322034 0.81 ESR2 (0.55) ESR2MAP1LC3BKDM4E
SCHEMBL3322032 0.81 ESR2 (0.55) ESR2MAP1LC3BKDM4E
SCHEMBL6337866 0.76 KDM4E (0.43) KDM4E
SCHEMBL14620989 0.72 ESR2 (0.55) ESR2CYP19A1
SCHEMBL18246497 0.72 ESR2 (1.00) ESR2
SCHEMBL2046094 0.72 ESR2 (0.50) ESR2BRD4MAP1LC3BKDM1AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103635458-B Trpv1 antagonists 艾伯维公司 2016-10-19 CN disclosed
US-8802711-B2 TRPV1 antagonists ABBVIE INC. (US) 2014-08-12 US disclosed
CN-103635458-A Trpv1 antagonists ABBVIE INC 2014-03-12 CN disclosed
EP-2688866-A1 TRPV1 ANTAGONISTS AbbVie Inc. (US) 2014-01-29 EP disclosed
WO-2012134943-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2012-10-04 WO disclosed
US-20120245163-A1 TRPV1 Antagonists ABBOTT LABORATORIES (US) 2012-09-27 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-20120245163-A1 TRPV1 Antagonists TRPV1, TRPV3, TRPV6 ESR2 1315/4885BRD4 907/4885MAP1LC3B 4457/4885

“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.