SCHEMBL5464649

SCHEMBL5464649

NC1CCc2c1ccc(F)c2C1CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 3/20 0.36
ACHE P22303 2/20 0.35
ABCB1 P08183 1/20 0.35
IL1RN P18510 1/20 0.31
ERAP2 Q6P179 1/20 0.31
ERAP1 Q9NZ08 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
EPAS1 Q99814 1/20 0.31
HTR1A P08908 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
KDM1A O60341 2/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
KDM1B Q8NB78 1/20 0.30

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
SCHEMBL1998740 0.79 DRD2 (0.41) DRD2DRD3CYP11B1CYP11B2ACHE
SCHEMBL4666253 0.76 DRD2 (0.53) DRD2DRD3CYP11B1CYP11B2ACHE
SCHEMBL30563612 0.76 DRD2 (0.53) DRD2DRD3CYP11B1CYP11B2ACHE
SCHEMBL17702023 0.76 DRD2 (0.53) DRD2DRD3CYP11B1CYP11B2ACHE
SCHEMBL1150855 0.76 DRD2 (0.53) DRD2DRD3CYP11B1CYP11B2ACHE
SCHEMBL30327617 0.76 DRD2 (0.53) DRD2DRD3CYP11B1CYP11B2ACHE
SCHEMBL193673 0.75 DRD2 (0.43) DRD2DRD3CYP11B1CYP11B2IL1RN
SCHEMBL193672 0.75 DRD2 (0.43) DRD2DRD3CYP11B1CYP11B2IL1RN
Hydrochloric Acid SCHEMBL17579984 0.74 DRD2 (0.51) DRD2DRD3CYP11B1CYP11B2ACHE
Hydrochloric Acid SCHEMBL31186912 0.74 DRD2 (0.51) DRD2DRD3CYP11B1CYP11B2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120277190-A1 PRODRUGS OF COMPOUNDS THAT INHIBIT TRPV1 RECEPTOR ABBVIE INC. 2012-11-01 US disclosed
US-8232309-B2 Prodrugs of compounds that inhibit TRPV1 receptor ABBOTT LABORATORIES (US) 2012-07-31 US disclosed
CN-102516176-A Indazole derivatives that inhibit TRPVL receptor ABBOTT LAB 2012-06-27 CN disclosed
CN-101365684-A Indazole derivatives inhibiting TRPV1 receptor ABBOTT LAB (US) 2009-02-11 CN disclosed
US-20070099954-A1 Prodrugs of compounds that inhibit TRPV1 receptor ABBVIE INC. 2007-05-03 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 (2 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-20120277190-A1 PRODRUGS OF COMPOUNDS THAT INHIBIT TRPV1 RECEPTOR TRPV1, TRPV3, TRPA1 DRD2 793/4885DRD3 1111/4885CYP11B1 1704/4885
US-20070099954-A1 Prodrugs of compounds that inhibit TRPV1 receptor TRPV1, TRPV3, TRPA1 DRD2 793/4885DRD3 1111/4885CYP11B1 1704/4885

“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.