SCHEMBL4022156

SCHEMBL4022156

C=CCc1cccc2cnccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.54
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
HTT P42858 2/20 0.49
LMNA P02545 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPKAPK2 P49137 1/20 0.49
DAO P14920 1/20 0.45
KCNA3 P22001 1/20 0.43
ROS1 P08922 1/20 0.43
RPS6KB1 P23443 1/20 0.43
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
MET P08581 1/20 0.40
PIP4K2A P48426 1/20 0.40
GLS O94925 2/20 0.39
PDE10A Q9Y233 1/20 0.39

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
SCHEMBL5666181 0.86 TNF (0.45) IMPDH2CYP3A4CYP2D6HTTLMNA
SCHEMBL1828134 0.83 CYP3A4 (0.49) CYP3A4CYP2D6HTTLMNACYP1A2
SCHEMBL29954490 0.83 CYP3A4 (0.49) CYP3A4CYP2D6HTTLMNACYP1A2
SCHEMBL3816382 0.80 CYP3A4 (0.53) CYP3A4CYP2D6HTTLMNACYP1A2
SCHEMBL5353000 0.79 CYP11B1 (0.44) IMPDH2CYP3A4CYP2D6CYP1A2CYP2C9
Pyridine SCHEMBL27686307 0.78 CYP1A2 (0.47) CYP2D6LMNACYP1A2CYP2C9CYP2C19
SCHEMBL25106 0.77 CYP1A2 (0.52) CYP2D6HTTLMNACYP1A2CYP2C9
SCHEMBL30083984 0.77 CYP1A2 (0.52) CYP2D6HTTLMNACYP1A2CYP2C9
Pyridine SCHEMBL4262038 0.77 CYP1A2 (0.46) CYP2D6HTTLMNACYP1A2CYP2C9
SCHEMBL5445144 0.77 IMPDH2 (0.55) IMPDH2CYP3A4CYP2D6HTTLMNA

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 21 patents — showing the first 20. 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
US-7078529-B2 N-[1-(bi)cycloaliphatic-1H-imidazol-4-yl]-(bi)cycloaliphatic acetamides; central nervous system disorders; enzyme inhibitors of cyclin-dependent kinase-2 and -5, and glycogen synthase kinase-3 PFIZER INC. (US) 2006-07-18 US disclosed
US-20060149066-A1 Imidazole derivatives PFIZER INC 2006-07-06 US disclosed
EP-1660455-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2006-05-31 EP 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
WO-2005016890-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2005-02-24 WO disclosed
US-20040209884-A1 Fused azabicycic compounds that inhibit vanilloid receptor subtype 1(VR1) receptor ABBVIE INC. 2004-10-21 US disclosed
US-20040192750-A1 Antiproliferative agents; anticancer agents; neurodegenerative agents sexual disorders; antidiabetic agents; urogenital disorders; antidiabetic agents; obesity; muscular disorders; aftertreatment surgery; autoimmune disease PFIZER INC 2004-09-30 US disclosed
US-20040157849-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2004-08-12 US disclosed
US-6756385-B2 FERTILITY; ANTIDIABETIC AGENTS PFIZER INC. 2004-06-29 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
EP-1305295-A1 IMIDAZOLE DERIVATIVES Pfizer Products Inc. (US) 2003-05-02 EP disclosed
US-20030083352-A1 Synthesis of imidazole intermediates PFIZER INC. 2003-05-01 US disclosed
US-20020119963-A1 Imidazole derivatives PFIZER PRODUCTS INC. 2002-08-29 US disclosed
WO-2002010141-A1 IMIDAZOLE DERIVATIVES PFIZER PRODUCTS INC. (US) 2002-02-07 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 (9 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 IMPDH2 2390/4885CYP3A4 1234/4885CYP2D6 1069/4885
US-20030158198-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, VIPR1, TMEM109 IMPDH2 2275/4885CYP3A4 1208/4885CYP2D6 1104/4885
US-20040157849-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, VIPR1, TMEM109 IMPDH2 2150/4885CYP3A4 1191/4885CYP2D6 1065/4885
US-20040209884-A1 Fused azabicycic compounds that inhibit vanilloid receptor subtype 1(VR1) receptor TRPV1, TMEM109, GPR55 IMPDH2 2087/4885CYP3A4 1162/4885CYP2D6 1090/4885
US-20050113576-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, TMEM109, VIPR1 IMPDH2 2390/4885CYP3A4 1234/4885CYP2D6 1069/4885
US-20030083352-A1 Synthesis of imidazole intermediates CDK1, CDK2, CDK3 IMPDH2 1000/4885CYP3A4 589/4885CYP2D6 910/4885
US-20060149066-A1 Imidazole derivatives CDK1, CDK3, CKMT1A; CKMT1B IMPDH2 2072/4885CYP3A4 2670/4885CYP2D6 2694/4885
US-20020119963-A1 Imidazole derivatives CDK1, CDK3, CDK2 IMPDH2 1561/4885CYP3A4 2331/4885CYP2D6 2451/4885
US-20040192750-A1 Antiproliferative agents; anticancer agents; neurodegenerative agents sexual disorders; antidiabetic agents; urogenital disorders; antidiabetic agents; obesity; muscular disorders; aftertreatment surgery; autoimmune disease CDK1, CDK3, CDK5 IMPDH2 3041/4885CYP3A4 3597/4885CYP2D6 3200/4885

“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.