SCHEMBL2320079

SCHEMBL2320079

O=C1CC(CF)(CF)Oc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.46
ATM Q13315 1/20 0.44
ADRA1D P25100 2/20 0.40
ADRA1A P35348 2/20 0.40
ADRA1B P35368 2/20 0.40
ALDH1A1 P00352 1/20 0.37
MAOB P27338 4/20 0.37
KDM4E B2RXH2 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
AR P10275 1/20 0.37
CYP19A1 P11511 1/20 0.37
HSD17B10 Q99714 1/20 0.37
EPHX2 P34913 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
PKM P14618 1/20 0.35
TSHR P16473 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
SCHEMBL11387812 0.83 ATM (0.48) SIGMAR1ATMADRA1DADRA1AADRA1B
SCHEMBL30735904 0.83 ATM (0.48) SIGMAR1ATMADRA1DADRA1AADRA1B
SCHEMBL2317603 0.79 MAOB (0.45) ALDH1A1MAOBKDM4E
SCHEMBL2318443 0.79 HSD11B1 (0.44) ATMALDH1A1MAOBKDM4EHSD17B10
SCHEMBL1977431 0.78 MAPT (0.43) ATMALDH1A1MAOBKDM4EAR
SCHEMBL30065886 0.78 ALDH1A1 (0.61) ALDH1A1MAOBKDM4ECYP19A1
SCHEMBL2315432 0.78 HTR2A (0.49) ALDH1A1MAOBKDM4E
SCHEMBL2317910 0.78 MAOB (0.44) ALDH1A1MAOBKDM4E
SCHEMBL7207568 0.76 ATM (0.43) SIGMAR1ATMADRA1DADRA1AADRA1B
SCHEMBL2315765 0.76 TRPM8 (0.41) ALDH1A1MAOBKDM4ECYP19A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609692-B2 TRPV1 antagonists ABBVIE INC. (US) 2013-12-17 US disclosed
US-8604053-B2 TRPV1 antagonists ABBVIE INC. (US) 2013-12-10 US disclosed
EP-2352727-A1 TRPV1 ANTAGONISTS Abbott Laboratories (US) 2011-08-10 EP disclosed
EP-2352726-A1 TRPV1 ANTAGONISTS Abbott Laboratories (US) 2011-08-10 EP disclosed
US-20100137360-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2010-06-03 US disclosed
US-20100120846-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2010-05-13 US disclosed
WO-2010045401-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2010-04-22 WO disclosed
WO-2010045402-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2010-04-22 WO 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-20100137360-A1 TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPV2 SIGMAR1 342/4885ATM 4377/4885ADRA1D 104/4885
US-20100120846-A1 TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPV2 SIGMAR1 324/4885ATM 4348/4885ADRA1D 103/4885

“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.