SCHEMBL1805783

SCHEMBL1805783

COC(=O)C1CCOc2cc(F)ccc2C1C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.42
KDM4C Q9H3R0 6/20 0.41
ADRA2A P08913 1/20 0.40
NTRK1 P04629 1/20 0.38
MAPK1 P28482 3/20 0.37
PTGDR2 Q9Y5Y4 2/20 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
SCHEMBL1805781 1.00 TRPV1 (0.42) TRPV1KDM4CADRA2ANTRK1MAPK1
SCHEMBL1569667 0.83 KDM4C (0.43) TRPV1KDM4CADRA2ANTRK1PTGDR2
SCHEMBL9431997 0.75 TRPV1 (0.41) TRPV1KDM4CPTGDR2
SCHEMBL915090 0.73 MAOB (0.38) TRPV1KDM4CPTGDR2
SCHEMBL17448044 0.73 RIPK1 (0.40) TRPV1KDM4C
SCHEMBL28788365 0.72 KDM4C (0.43) TRPV1KDM4CADRA2ANTRK1MAPK1
SCHEMBL27830379 0.72 ADRA2A (0.47) TRPV1KDM4CADRA2ANTRK1PTGDR2
SCHEMBL1569617 0.71 KDM4C (0.46) KDM4CADRA2APTGDR2
SCHEMBL17443366 0.70 ROCK2 (0.45) TRPV1
SCHEMBL1569659 0.70 CFTR (0.47) TRPV1

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-20180346484-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE DEUTSCHLAND (DE) 2018-12-06 US disclosed
US-9879033-B2 Modulators of 5-HT receptors and methods of use thereof AbbVie Deutschland GmbH & Co. KG (DE) 2018-01-30 US disclosed
EP-2571353-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2017-08-09 EP disclosed
US-20160096851-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC. 2016-04-07 US disclosed
US-9187483-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2015-11-17 US disclosed
EP-2641907-B1 Preparation of modulators of 5-HT receptors ABBVIE INC (US) 2015-01-28 EP disclosed
US-8846951-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2014-09-30 US disclosed
EP-2432783-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LAB (US) 2013-05-01 EP disclosed
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-05-19 US disclosed
US-20100298292-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-11-25 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 (4 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-20160096851-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C TRPV1 222/4885KDM4C 1180/4885ADRA2A 81/4885
US-20100298292-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C TRPV1 222/4885KDM4C 1180/4885ADRA2A 81/4885
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C TRPV1 222/4885KDM4C 1180/4885ADRA2A 81/4885
US-20180346484-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C TRPV1 222/4885KDM4C 1180/4885ADRA2A 81/4885

“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.