SCHEMBL2315432

SCHEMBL2315432

O=C1CC(CF)(CF)Oc2cc(Br)ccc21

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
MAOB P27338 10/20 0.44
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
S100A4 P26447 1/20 0.34
PBRM1 Q86U86 1/20 0.34
LMNA P02545 1/20 0.34
CRHBP P24387 1/20 0.34
HTT P42858 1/20 0.34
CRHR2 Q13324 1/20 0.34
TDP2 O95551 1/20 0.33
CA4 P22748 1/20 0.33

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
SCHEMBL1977431 0.88 MAPT (0.43) HTR2AHTR2CMAOBALDH1A1KDM4E
SCHEMBL2317603 0.83 MAOB (0.45) MAOBALDH1A1KDM4ESMN1; SMN2
SCHEMBL30065886 0.82 ALDH1A1 (0.61) HTR2CMAOBALDH1A1KDM4ECA1
SCHEMBL2317910 0.82 MAOB (0.44) MAOBALDH1A1KDM4ESMN1; SMN2
SCHEMBL30953863 0.79 ALDH1A1 (0.40) MAOBALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL2321310 0.79 ALDH1A1 (0.40) MAOBALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL2320079 0.78 SIGMAR1 (0.46) MAOBALDH1A1KDM4E
SCHEMBL6552997 0.76 ALDH1A1 (0.67) HTR2AHTR2CMAOBALDH1A1KDM4E
SCHEMBL29640611 0.76 ALDH1A1 (0.67) HTR2AHTR2CMAOBALDH1A1KDM4E
SCHEMBL2319826 0.76 ALDH1A1 (0.49) MAOBALDH1A1KDM4ESMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859584-B2 TRPV1 antagonists ABBVIE, INC. (US) 2014-10-14 US disclosed
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
WO-2013096223-A1 TRPV1 ANTAGONISTS ABBVIE INC. (US) 2013-06-27 WO disclosed
US-20130158067-A1 TRPV1 Antagonists ABBVIE INC. (US) 2013-06-20 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 (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 HTR2A 195/4885HTR2C 216/4885MAOB 1327/4885
US-20100120846-A1 TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPV2 HTR2A 201/4885HTR2C 224/4885MAOB 1382/4885
US-20130158067-A1 TRPV1 Antagonists TRPV1, NPY1R, MRGPRX1 HTR2A 199/4885HTR2C 322/4885MAOB 990/4885

“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.