SCHEMBL3436633

SCHEMBL3436633

Cc1ccccc1N1CC[C@@H](O)[C@@H](O)CC1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.64
ADRB1 P08588 1/20 0.56
TSHR P16473 1/20 0.53
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
AKR1C3 P42330 1/20 0.47
KMT2A Q03164 2/20 0.46
ATM Q13315 1/20 0.46
LMNA P02545 1/20 0.46
MCOLN3 Q8TDD5 1/20 0.46
AR P10275 5/20 0.46
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.44
NPC1 O15118 1/20 0.44
RECQL P46063 1/20 0.44
HTT P42858 1/20 0.43
NPY5R Q15761 1/20 0.43

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
SCHEMBL3436330 0.91 SLC18A3 (0.55) SLC18A3ADRB1TSHRALDH1A1HPGD
SCHEMBL3436329 0.89 SLC18A3 (0.59) SLC18A3ADRB1TSHRALDH1A1HPGD
SCHEMBL2095415 0.82 KMT2A (0.65) SLC18A3ADRB1TSHRALDH1A1HPGD
SCHEMBL3436357 0.82 SLC18A3 (0.57) SLC18A3ADRB1TSHRALDH1A1HPGD
SCHEMBL3436638 0.81 SLC18A3 (0.53) SLC18A3ADRB1TSHRALDH1A1HPGD
SCHEMBL3436355 0.81 SLC18A3 (0.53) SLC18A3ADRB1TSHRALDH1A1HPGD
SCHEMBL4291189 0.81 ADRB1 (0.72) SLC18A3ADRB1TSHRALDH1A1HPGD
SCHEMBL12806225 0.81 ADRB1 (0.56) SLC18A3ADRB1TSHRALDH1A1HPGD
SCHEMBL2095412 0.81 ADRB1 (0.56) SLC18A3ADRB1TSHRALDH1A1HPGD
SCHEMBL3554921 0.80 KDM4E (0.55) SLC18A3ADRB1TSHRALDH1A1HPGD

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 SLC18A3 1714/4885ADRB1 37/4885TSHR 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.