SCHEMBL4347014

SCHEMBL4347014

NC1CC2(CCCCC2)Oc2c(Cl)cc(Cl)cc21

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
KDM1A O60341 2/20 0.31
EZH2 Q15910 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL617759 0.95 HTR2A (0.32) HTR2ACNR1CNR2KDM1AEZH2
SCHEMBL3798522 0.84 TRPM8 (0.30) KDM1A
SCHEMBL11480145 0.82 TRPM8 (0.35) HTR2ACNR1CNR2EZH2
SCHEMBL617187 0.78 TRPM8 (0.36) HTR2ACNR1CNR2EZH2
SCHEMBL3582825 0.77 CNR1 (0.45) HTR2ACNR1CNR2
SCHEMBL3801092 0.77 KDM4E (0.36) HTR2ASLC6A4SLC6A3CNR1CNR2
SCHEMBL3800669 0.75 TRPM8 (0.38) HTR2AKDM1A
SCHEMBL919159 0.75 TRPM8 (0.38) HTR2AKDM1A
SCHEMBL3794790 0.75 KDM1A (0.37) SLC6A4SLC6A3CNR1CNR2KDM1A
SCHEMBL3797219 0.75 TRPM8 (0.38) HTR2AKDM1A

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
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
EP-2012778-A2 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF Abbott Laboratories (US) 2009-01-14 EP disclosed
US-20070249614-A1 Antagonists of the Vanilloid Receptor Subtype 1 (VR1) and Uses Thereof ABBVIE INC. 2007-10-25 US disclosed
WO-2007121299-A2 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF ABBOTT LABORATORIES (US) 2007-10-25 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-20090233953-A1 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF OPRL1, AVPR1A, TRPV1 HTR2A 278/4885SLC6A4 646/4885SLC6A3 716/4885
US-20070249614-A1 Antagonists of the Vanilloid Receptor Subtype 1 (VR1) and Uses Thereof OPRL1, AVPR1A, AVPR1B HTR2A 274/4885SLC6A4 674/4885SLC6A3 731/4885

“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.