SCHEMBL4352829

SCHEMBL4352829

COc1ccc2c(c1)OC1(CCCCC1)CC2N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM1A O60341 2/20 0.39
ALDH1A1 P00352 3/20 0.38
ESR1 P03372 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
PGR P06401 1/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD1 P21728 1/20 0.36
TBXA2R P21731 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
ADRA1A P35348 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
SCHEMBL619734 0.96 MAPT (0.44) MAPTKDM4EMEN1KMT2AKDM1A
SCHEMBL11246000 0.89 HTR2B (0.40) MAPTKDM4EMEN1KMT2AKDM1A
SCHEMBL618191 0.85 HTR2B (0.40) MAPTKDM4EMEN1KMT2AKDM1A
SCHEMBL4355348 0.84 KDM4E (0.39) KDM4EMEN1KMT2AALDH1A1HRH3
SCHEMBL11482443 0.84 MAPT (0.44) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL11238574 0.82 MEN1 (0.40) MAPTKDM4EMEN1KMT2AKDM1A
SCHEMBL3578838 0.80 MAPT (0.47) MAPTKDM4EMEN1KMT2AKDM1A
SCHEMBL617965 0.79 SLC6A4 (0.35) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL619441 0.79 HRH3 (0.40) MAPTESR1PGRKCNH2HRH3
SCHEMBL4355338 0.79 KDM1A (0.36) KDM1ASLC6A4SLC6A3HTR2C

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
US-8598220-B2 Antagonists of the vanilloid receptor subtype 1 (VR1) and uses thereof ABBVIE INC. (US) 2013-12-03 US disclosed
US-7622493-B2 Antagonists of the vanilloid receptor subtype 1 (VR1) and uses thereof ABBOTT LABORATORIES (US) 2009-11-24 US disclosed
US-20090233953-A1 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF ABBOTT LABORATORIES (US) 2009-09-17 US disclosed
US-20070249614-A1 Antagonists of the Vanilloid Receptor Subtype 1 (VR1) and Uses Thereof ABBVIE INC. 2007-10-25 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-20090233953-A1 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF OPRL1, AVPR1A, TRPV1 MAPT 3866/4885KDM4E 3574/4885MEN1 4485/4885
US-20070249614-A1 Antagonists of the Vanilloid Receptor Subtype 1 (VR1) and Uses Thereof OPRL1, AVPR1A, AVPR1B MAPT 3827/4885KDM4E 3498/4885MEN1 4564/4885

“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.