SCHEMBL430772

SCHEMBL430772

O=C1CCCC(c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.49
ESR2 Q92731 1/20 0.46
MAPT P10636 1/20 0.41
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
CYP1A2 P05177 1/20 0.38
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
PDE2A O00408 1/20 0.37
PROKR1 Q8TCW9 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
SCHEMBL430771 1.00 HTR2C (0.49) HTR2CESR2MAPTPDE4APDE4B
SCHEMBL25227729 0.90 HTR2C (0.51) HTR2CESR2PDE4APDE4BPDE4C
SCHEMBL25271583 0.90 HTR2C (0.51) HTR2CESR2PDE4APDE4BPDE4C
SCHEMBL25224744 0.90 HTR2C (0.51) HTR2CESR2PDE4APDE4BPDE4C
SCHEMBL10699999 0.83 ESR2 (0.46) ESR2MAPTPDE4APDE4BPDE4C
SCHEMBL427824 0.82 HTR2C (0.53) HTR2CMAPT
SCHEMBL715319 0.81 ESR2 (0.50) ESR2MAPTPDE4APDE4BPDE4C
SCHEMBL18980759 0.81 ESR2 (0.50) ESR2MAPTPDE4APDE4BPDE4C
SCHEMBL6891029 0.79 HTR2C (0.59) HTR2CESR2CYP1A2DDB1CRBN
SCHEMBL5329450 0.79 MAPT (0.57) HTR2CMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2349560-B1 POLYMER-SUPPORTED TRANSITION METAL CATALYST COMPLEXES AND METHODS OF USE UNIV KANSAS (US) 2025-01-22 EP disclosed
CN-102281948-B The transition-metal catalyst complex compound of Polymer-supported and using method UNIVERSITY OF KANSAS (US) 2015-11-25 CN disclosed
US-8921486-B2 Polymer-supported transition metal catalyst complexes and methods of use UNIVERSITY OF KANSAS (US) 2014-12-30 US disclosed
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF ABBVIE, INC. (US) 2013-06-27 US disclosed
US-8350083-B2 Antagonists of the TRPV1 receptor and uses thereof ABBVIE INC. (US) 2013-01-08 US disclosed
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF ABBOTT LABORATORIES (US) 2012-01-26 US disclosed
CN-102281948-A Polymer-supported transition metal catalyst complexes and methods of use 2011-12-14 CN disclosed
US-8030504-B2 Pain, especially, inflammatory hyperalgesia, ostheoarthritic pain, chronic lower pain, allodynia, migraine. Methods of controlling pain and treating bladder overactivity and urinary incontinence ABBOTT LABORATORIES (US) 2011-10-04 US disclosed
US-20110230620-A1 Polymer-Supported Transition Metal Catalyst Complexes and Methods of Use NATIONAL SCIENCE FOUNDATION 2011-09-22 US disclosed
US-20110230620-A1 Polymer-Supported Transition Metal Catalyst Complexes and Methods of Use NATIONAL SCIENCE FOUNDATION 2011-09-22 US disclosed
US-20110230620-A1 Polymer-Supported Transition Metal Catalyst Complexes and Methods of Use NATIONAL SCIENCE FOUNDATION 2011-09-22 US disclosed
US-20080153871-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF ABBOTT LABORATORIES (US) 2008-06-26 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 (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-20080153871-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 HTR2C 240/4885ESR2 630/4885MAPT 2392/4885
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 HTR2C 190/4885ESR2 554/4885MAPT 2573/4885
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 HTR2C 240/4885ESR2 630/4885MAPT 2392/4885

“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.