SCHEMBL3436330

SCHEMBL3436330

Cc1ccccc1N1CC[C@H](O)[C@H](O)C1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.55
ADRB1 P08588 1/20 0.47
PBRM1 Q86U86 2/20 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
AKR1C3 P42330 1/20 0.41
NOTUM Q6P988 2/20 0.41
KMT2A Q03164 2/20 0.40
ATM Q13315 1/20 0.40
AR P10275 4/20 0.40
LMNA P02545 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
GBA1 P04062 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL3436633 0.91 SLC18A3 (0.64) SLC18A3ADRB1ALDH1A1HPGDSMN1; SMN2
SCHEMBL3436350 0.87 SLC18A3 (0.54) SLC18A3ADRB1ALDH1A1HPGDSMN1; SMN2
SCHEMBL3436351 0.87 SLC18A3 (0.54) SLC18A3ADRB1ALDH1A1HPGDSMN1; SMN2
SCHEMBL3436349 0.87 SLC18A3 (0.54) SLC18A3ADRB1ALDH1A1HPGDSMN1; SMN2
SCHEMBL3436355 0.84 SLC18A3 (0.53) SLC18A3ADRB1ALDH1A1HPGDSMN1; SMN2
SCHEMBL3436638 0.84 SLC18A3 (0.53) SLC18A3ADRB1ALDH1A1HPGDSMN1; SMN2
SCHEMBL3436329 0.80 SLC18A3 (0.59) SLC18A3ADRB1ALDH1A1HPGDSMN1; SMN2
SCHEMBL3435997 0.79 GAA (0.57) SLC18A3PBRM1NOTUMKMT2AMEN1
SCHEMBL3550794 0.79 KMT2A (0.51) SLC18A3ADRB1ALDH1A1HPGDSMN1; SMN2
SCHEMBL3436335 0.78 SLC18A3 (0.54) SLC18A3ADRB1PBRM1ALDH1A1HPGD

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 SLC18A3 1714/4885ADRB1 37/4885PBRM1 2712/4885

“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.