SCHEMBL3325673

SCHEMBL3325673

OC1CCOc2c(OC(F)(F)F)cccc21

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.46
HCRTR1 O43613 3/20 0.38
HCRTR2 O43614 3/20 0.38
MAP3K14 Q99558 2/20 0.38
P2RX7 Q99572 2/20 0.37
POLL Q9UGP5 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
HTR1A P08908 1/20 0.33
TRPM8 Q7Z2W7 5/20 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
SCHEMBL3325669 1.00 TRPV1 (0.46) TRPV1HCRTR1HCRTR2MAP3K14P2RX7
SCHEMBL1508318 0.85 TRPV1 (0.39) TRPV1HCRTR1HCRTR2P2RX7HTR2A
SCHEMBL3322452 0.82 TRPV1 (0.44) TRPV1HCRTR1HCRTR2P2RX7HTR2A
SCHEMBL3322459 0.82 TRPV1 (0.44) TRPV1HCRTR1HCRTR2P2RX7HTR2A
SCHEMBL10638224 0.80 POLL (0.50) MAP3K14POLLHTR2CHTR1A
SCHEMBL13505648 0.77 TRPV1 (0.43) TRPV1MAP3K14P2RX7HTR2C
SCHEMBL4288746 0.77 TRPV1 (0.59) TRPV1P2RX7
SCHEMBL1803128 0.76 TRPV1 (0.42) TRPV1P2RX7HTR2AHTR2CHTR2B
SCHEMBL1803126 0.76 TRPV1 (0.42) TRPV1P2RX7HTR2AHTR2CHTR2B
SCHEMBL2598991 0.76 TRPV1 (0.42) TRPV1P2RX7HTR2AHTR2CHTR2B

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 10 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
CN-102245587-A Trpv1 antagonists ABBOTT LAB 2011-11-16 CN disclosed
CN-102186836-A Trpv1 antagonists ABBOTT LAB 2011-09-14 CN disclosed
EP-2197426-A2 SOLID DISPERSION PRODUCT CONTAINING N-ARYL UREA-BASED COMPOUND Abbott GmbH & Co. KG (DE) 2010-06-23 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-2010045402-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2010-04-22 WO disclosed
US-20090143423-A1 SOLID DISPERSION PRODUCT CONTAINING N-ARYL UREA-BASED COMPOUND ABBOTT GMBH & CO. KG (DE) 2009-06-04 US disclosed
WO-2009050289-A2 SOLID DISPERSION PRODUCT CONTAINING N-ARYL UREA-BASED COMPOUND ABBOTT GMBH & CO. KG (DE) 2009-04-23 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 (3 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 TRPV1 1/4885HCRTR1 121/4885HCRTR2 115/4885
US-20100120846-A1 TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPV2 TRPV1 1/4885HCRTR1 122/4885HCRTR2 119/4885
US-20090143423-A1 SOLID DISPERSION PRODUCT CONTAINING N-ARYL UREA-BASED COMPOUND U2SURP, UMPS, HNRNPUL1 TRPV1 4781/4885HCRTR1 4500/4885HCRTR2 4611/4885

“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.