SCHEMBL3436285

SCHEMBL3436285

Cc1ccccc1N1CCN(C)C(CO)C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.46
SLC18A3 Q16572 1/20 0.43
TSHR P16473 1/20 0.42
HTR7 P34969 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AKR1C3 P42330 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
AR P10275 3/20 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
SCHEMBL3435675 0.84 ADRA2C (0.53) KMT2A
SCHEMBL19390259 0.82 MEN1 (0.44) ADRB1HTR7ALDH1A1KMT2AAR
SCHEMBL3539393 0.80 ATR (0.35) TSHRKMT2A
SCHEMBL3435622 0.78 LMNA (0.50) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL13999773 0.78 ADRB1 (0.47) ADRB1SLC18A3TSHRHTR7ALDH1A1
SCHEMBL3436435 0.76 AR (0.48) ADRB1SLC18A3TSHRALDH1A1AKR1C3
SCHEMBL3436516 0.75 TSHR (0.47) ADRB1SLC18A3TSHRALDH1A1AKR1C3
SCHEMBL7691678 0.74 CHRNB2 (0.47) ADRB1SLC18A3TSHRHTR7ALDH1A1
SCHEMBL3436433 0.72 ALDH1A1 (0.49) TSHRALDH1A1AKR1C3KMT2AAR
SCHEMBL4291189 0.72 ADRB1 (0.72) ADRB1SLC18A3TSHRHTR7ALDH1A1

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 4 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

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 1714/4885TSHR 867/4885

“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.