SCHEMBL3436641

SCHEMBL3436641

Cc1ccccc1N1CCC(CN)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.51
SLC18A3 Q16572 1/20 0.48
LMNA P02545 1/20 0.46
MCOLN3 Q8TDD5 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
GAA P10253 1/20 0.45
CXCR4 P61073 1/20 0.44
NCF1 P14598 1/20 0.42
HTR7 P34969 1/20 0.42
ATM Q13315 2/20 0.41
BPTF Q12830 1/20 0.41
AKR1C3 P42330 1/20 0.41
CCR5 P51681 1/20 0.41
HSD11B1 P28845 1/20 0.40

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
SCHEMBL20756535 0.84 ADRB1 (0.53) ADRB1SLC18A3LMNAMCOLN3ALDH1A1
SCHEMBL8275948 0.82 SMN1; SMN2 (0.48) ADRB1SLC18A3LMNAMCOLN3ALDH1A1
SCHEMBL13641229 0.81 ADRB1 (0.50) ADRB1SLC18A3LMNAMCOLN3ALDH1A1
SCHEMBL8127094 0.81 CXCR4 (0.61) ADRB1LMNAALDH1A1CXCR4ADRA1D
SCHEMBL12806225 0.80 ADRB1 (0.56) ADRB1SLC18A3LMNAMCOLN3ALDH1A1
SCHEMBL3436338 0.80 TSHR (0.50) ADRB1SLC18A3LMNAMCOLN3ALDH1A1
SCHEMBL7677643 0.79 DRD2 (0.57) ADRB1LMNAALDH1A1HPGDGAA
SCHEMBL3557283 0.79 SLC18A3 (0.48) ADRB1SLC18A3LMNAMCOLN3ALDH1A1
SCHEMBL2095415 0.78 KMT2A (0.65) ADRB1SLC18A3LMNAMCOLN3ALDH1A1
SCHEMBL20694214 0.78 ADRB1 (0.46) ADRB1SLC18A3LMNAMCOLN3ALDH1A1

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 ADRB1 37/4885SLC18A3 1714/4885LMNA 4712/4885

“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.