SCHEMBL1860306

SCHEMBL1860306

NC1CCc2c(-c3cccnc3)cccc21

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.58
ADRA1A P35348 2/20 0.58
CYP11B1 P15538 4/20 0.45
CYP11B2 P19099 4/20 0.45
HPGDS O60760 1/20 0.41
DHPS P49366 2/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2A6 P11509 1/20 0.40
UCHL1 P09936 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1B P35368 1/20 0.40
ACHE P22303 1/20 0.39
ANPEP P15144 1/20 0.39
IL1RN P18510 1/20 0.39
ERAP2 Q6P179 1/20 0.39
ERAP1 Q9NZ08 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
SCHEMBL24701125 0.84 ADRA2A (0.60) ADRA2AADRA1ACYP11B1CYP11B2HPGDS
SCHEMBL24700995 0.84 ADRA2A (0.60) ADRA2AADRA1ACYP11B1CYP11B2HPGDS
SCHEMBL1858184 0.83 CYP11B1 (0.50) ADRA2AADRA1ACYP11B1CYP11B2CYP1A2
SCHEMBL18471212 0.81 ANPEP (0.55) CYP11B1CYP11B2ACHEANPEPIL1RN
SCHEMBL24619626 0.79 ACHE (0.46) CYP11B1CYP11B2ACHEANPEPIL1RN
SCHEMBL20718138 0.74 DRD1 (0.53) ADRA2AADRA1ACYP11B1CYP11B2DHPS
SCHEMBL20718078 0.74 DRD1 (0.53) ADRA2AADRA1ACYP11B1CYP11B2DHPS
SCHEMBL20718036 0.74 DRD1 (0.53) ADRA2AADRA1ACYP11B1CYP11B2DHPS
SCHEMBL1010787 0.73 ADRA2A (0.52) ADRA2AADRA1ACYP11B1CYP11B2HPGDS
SCHEMBL20700208 0.73 ADRA2A (0.46) ADRA2AADRA1ACYP11B1CYP11B2DHPS

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-8487116-B2 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. (US) 2013-07-16 US 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
EP-2017265-B1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LAB (US) 2011-05-25 EP disclosed
EP-2017265-A1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor Abbott Laboratories (US) 2009-01-21 EP disclosed
US-20080287676-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2008-11-20 US disclosed
EP-1658269-B1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LAB (US) 2008-10-22 EP disclosed
US-7375126-B2 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES (US) 2008-05-20 US disclosed
EP-1658269-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR Abbott Laboratories (US) 2006-05-24 EP disclosed
US-20050043351-A1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2005-02-24 US disclosed
WO-2004111009-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2004-12-23 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-20080287676-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ARRB1, TRPV1, TRPV5 ADRA2A 271/4885ADRA1A 156/4885CYP11B1 749/4885
US-20050043351-A1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ARRB1, TRPV1, TRPV5 ADRA2A 268/4885ADRA1A 151/4885CYP11B1 702/4885
US-20120190845-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ARRB1, TRPV1, TRPV5 ADRA2A 271/4885ADRA1A 156/4885CYP11B1 749/4885

“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.