SCHEMBL3436320

SCHEMBL3436320

Cc1ccccc1N1CCC(C(=O)N(C)C)CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP46A1 Q9Y6A2 10/20 0.55
TSHR P16473 1/20 0.55
OPRM1 P35372 1/20 0.50
OPRL1 P41146 1/20 0.50
NPY5R Q15761 1/20 0.48
AKR1C3 P42330 1/20 0.47
SLC18A3 Q16572 1/20 0.47
ADRB1 P08588 1/20 0.46
PDK2 Q15119 1/20 0.46
AR P10275 2/20 0.45

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
SCHEMBL4496526 0.86 NOTUM (0.59) CYP46A1AKR1C3PDK2
SCHEMBL19049632 0.83 TSHR (0.58) TSHRAKR1C3SLC18A3ADRB1AR
SCHEMBL3436316 0.83 TSHR (0.58) TSHRAKR1C3SLC18A3ADRB1AR
SCHEMBL16994767 0.82 CYP46A1 (0.52) CYP46A1TSHR
SCHEMBL3436317 0.81 ALDH1A1 (0.62) TSHRAKR1C3SLC18A3ADRB1AR
SCHEMBL28242318 0.81 CYP46A1 (0.48) CYP46A1TSHROPRM1OPRL1PDK2
SCHEMBL4889125 0.80 NOTUM (0.58) CYP46A1NPY5RPDK2
SCHEMBL3436318 0.79 CYP46A1 (0.55) CYP46A1TSHRNPY5RAKR1C3SLC18A3
SCHEMBL5806589 0.78 TSHR (0.53) TSHRNPY5RAKR1C3SLC18A3ADRB1
SCHEMBL3092123 0.78 TSHR (0.77) TSHRAKR1C3SLC18A3AR

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-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 EP 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 (1 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 CYP46A1 3800/4885TSHR 867/4885OPRM1 742/4885

“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.