SCHEMBL1855079

SCHEMBL1855079

O=C=Nc1cccc2cnccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.49
CYP2D6 P10635 4/20 0.49
LMNA P02545 4/20 0.49
CYP1A2 P05177 3/20 0.49
CYP2C19 P33261 2/20 0.49
KDM4E B2RXH2 2/20 0.49
HTT P42858 1/20 0.49
CYP2C9 P11712 1/20 0.49
MAPKAPK2 P49137 1/20 0.49
ALDH1A1 P00352 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
ABCB11 O95342 1/20 0.41
NR3C1 P04150 1/20 0.41
ADRA2A P08913 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
ADRA2C P18825 1/20 0.41
MAOA P21397 1/20 0.41
DRD1 P21728 1/20 0.41
SLC6A4 P31645 1/20 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
SCHEMBL6066027 0.92 KDM4E (0.46) CYP3A4CYP2D6LMNACYP1A2CYP2C19
SCHEMBL6270172 0.83 ALDH1A1 (0.62) CYP3A4CYP2D6LMNACYP1A2CYP2C19
SCHEMBL31177936 0.83 ALDH1A1 (0.62) CYP3A4CYP2D6LMNACYP1A2CYP2C19
SCHEMBL10289918 0.80 CYP3A4 (0.53) CYP3A4CYP2D6LMNACYP1A2CYP2C19
SCHEMBL30032605 0.79 CYP3A4 (0.39) CYP3A4CYP2D6CYP1A2CYP2C19KDM4E
Alpha-Naphthylisocyanate SCHEMBL29400034 0.77 CYP1A2 (0.64) CYP3A4CYP2D6CYP1A2CYP2C19CYP2C9
Alpha-Naphthylisocyanate SCHEMBL374 0.77 CYP1A2 (0.64) CYP3A4CYP2D6CYP1A2CYP2C19CYP2C9
SCHEMBL2006905 0.77 HTT (0.68) CYP3A4CYP2D6LMNACYP1A2CYP2C19
SCHEMBL13449542 0.77 KDM4E (0.53) CYP3A4CYP2D6LMNACYP1A2CYP2C19
SCHEMBL5186996 0.76 CYP3A4 (0.53) CYP3A4CYP2D6LMNACYP1A2CYP2C19

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8487116-B2 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. (US) 2013-07-16 US disclosed
US-8440691-B2 Tetrahydroquinolinyl compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor and uses thereof ABBVIE INC. (US) 2013-05-14 US disclosed
EP-2527339-A1 Chromanylurea compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor and uses thereof Abbott Laboratories (US) 2012-11-28 EP disclosed
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
CN-102617464-A fused compounds that inhibit vanilloid receptor subtype 1 (vr1) receptor ABBOTT LAB 2012-08-01 CN disclosed
US-20120190845-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBVIE INC. 2012-07-26 US disclosed
US-8071762-B2 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES (US) 2011-12-06 US disclosed
US-8026256-B2 Fused compounds that inhibit vanilloid subtype 1 (VR1) receptor ABBOTT LABORATORIES (US) 2011-09-27 US disclosed
CN-102161653-A Chromanylurea compounds that inhibit vanilloid receptor subtype 1 (vr1) receptor and uses thereof ABBOTT LAB 2011-08-24 CN disclosed
US-20110152250-A1 CHROMANYLUREA COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR AND USES THEREOF ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
WO-2005016890-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2005-02-24 WO disclosed
WO-2004111009-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2004-12-23 WO disclosed
US-20040254188-A1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2004-12-16 US disclosed
EP-1478363-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR Abbott Laboratories (US) 2004-11-24 EP disclosed
US-20040209884-A1 Fused azabicycic compounds that inhibit vanilloid receptor subtype 1(VR1) receptor ABBVIE INC. 2004-10-21 US disclosed
WO-2004074290-A1 SUBSTITUTED AMINO HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME LIMITED (GB) 2004-09-02 WO disclosed
US-20040157849-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2004-08-12 US disclosed
WO-2003070247-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2003-08-28 WO 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 (7 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-20030158198-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, VIPR1, TMEM109 CYP3A4 1208/4885CYP2D6 1104/4885LMNA 4772/4885
US-20040157849-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, VIPR1, TMEM109 CYP3A4 1191/4885CYP2D6 1065/4885LMNA 4766/4885
US-20040209884-A1 Fused azabicycic compounds that inhibit vanilloid receptor subtype 1(VR1) receptor TRPV1, TMEM109, GPR55 CYP3A4 1162/4885CYP2D6 1090/4885LMNA 4757/4885
US-20110152250-A1 CHROMANYLUREA COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR AND USES THEREOF CACNA1E, CACNA1D, CACNA1S CYP3A4 953/4885CYP2D6 1146/4885LMNA 1203/4885
US-20040254188-A1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, OPRL1, TRPV2 CYP3A4 1189/4885CYP2D6 1095/4885LMNA 4671/4885
US-20030158188-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, TMEM109, VIPR1 CYP3A4 1234/4885CYP2D6 1069/4885LMNA 4763/4885
US-20120190845-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ARRB1, TRPV1, TRPV5 CYP3A4 923/4885CYP2D6 630/4885LMNA 4092/4885

“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.