SCHEMBL4019488

SCHEMBL4019488

Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2cnccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.62
MAPT P10636 3/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
ALDH1A1 P00352 2/20 0.62
GLA P06280 1/20 0.62
POLB P06746 1/20 0.62
GAA P10253 1/20 0.62
HPGD P15428 1/20 0.62
ATM Q13315 1/20 0.62
HSD17B10 Q99714 1/20 0.62
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
IMPDH2 P12268 4/20 0.42
ABCC9 O60706 3/20 0.41
ABCC8 Q09428 3/20 0.41
KCNJ11 Q14654 3/20 0.41

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
SCHEMBL29964222 0.83 IMPDH2 (0.47) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL5658470 0.83 IMPDH2 (0.47) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL2783503 0.78 ALDH1A1 (0.66) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL7258624 0.77 KDM4E (1.00) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL5566472 0.77 KDM4E (1.00) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL10036538 0.76 KDM4E (0.69) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL2784215 0.76 KDM4E (0.68) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL2784620 0.75 MEN1 (0.67) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL2782869 0.75 KDM4E (0.67) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL2785495 0.74 MEN1 (0.65) KDM4EMAPTMEN1KMT2AALDH1A1

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
US-8247413-B2 e.g. N-[2-(3-fluorophenyl)ethyl]-N'-isoquinolin-5-ylurea; opioid receptor inhibitor; analgesic, antiinflammatory agent; inflammatory thermal hyperalgesia, urinary incontinence and bladder overactivity ABBOTT LABORATORIES (US) 2012-08-21 US disclosed
EP-1478363-B1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LAB (US) 2009-01-14 EP disclosed
US-20080214524-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2008-09-04 US disclosed
US-7335678-B2 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1(VR1) receptor ABBOTT LABORATORIES (US) 2008-02-26 US disclosed
CN-1863777-A Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LAB (US) 2006-11-15 CN disclosed
US-7074805-B2 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES (US) 2006-07-11 US disclosed
US-6933311-B2 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES (US) 2005-08-23 US disclosed
US-20050113576-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES 2005-05-26 US disclosed
US-20040209884-A1 Fused azabicycic compounds that inhibit vanilloid receptor subtype 1(VR1) receptor ABBVIE INC. 2004-10-21 US disclosed
US-20040157849-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2004-08-12 US disclosed
US-20030158198-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2003-08-21 US disclosed
US-20030158188-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES 2003-08-21 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 (6 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-20080214524-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR TRPV1, TMEM109, VIPR1 KDM4E 3541/4885MAPT 4192/4885MEN1 4636/4885
US-20030158198-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, VIPR1, TMEM109 KDM4E 3503/4885MAPT 4118/4885MEN1 4446/4885
US-20040157849-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, VIPR1, TMEM109 KDM4E 3541/4885MAPT 4186/4885MEN1 4465/4885
US-20040209884-A1 Fused azabicycic compounds that inhibit vanilloid receptor subtype 1(VR1) receptor TRPV1, TMEM109, GPR55 KDM4E 2618/4885MAPT 4138/4885MEN1 4578/4885
US-20050113576-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, TMEM109, VIPR1 KDM4E 3541/4885MAPT 4192/4885MEN1 4636/4885
US-20030158188-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, TMEM109, VIPR1 KDM4E 3541/4885MAPT 4192/4885MEN1 4636/4885

“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.