SCHEMBL3436638

SCHEMBL3436638

Cc1ccccc1N1CC[C@@H](O)C1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.53
ADRB1 P08588 1/20 0.49
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RAD52 P43351 1/20 0.47
TSHR P16473 1/20 0.47
AKR1C3 P42330 1/20 0.42
NOTUM Q6P988 2/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 1/20 0.41
LMNA P02545 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
AR P10275 3/20 0.40
OPRL1 P41146 1/20 0.40
KCNH2 Q12809 1/20 0.40
MEN1 O00255 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
SCHEMBL3436355 1.00 SLC18A3 (0.53) SLC18A3ADRB1ALDH1A1HPGDSMN1; SMN2
SCHEMBL3436335 0.90 SLC18A3 (0.54) SLC18A3ADRB1ALDH1A1HPGDSMN1; SMN2
SCHEMBL3436329 0.89 SLC18A3 (0.59) SLC18A3ADRB1ALDH1A1HPGDSMN1; SMN2
SCHEMBL28241412 0.85 ALDH1A1 (0.53) SLC18A3ADRB1ALDH1A1HPGDSMN1; SMN2
SCHEMBL3436330 0.84 SLC18A3 (0.55) SLC18A3ADRB1ALDH1A1HPGDSMN1; SMN2
SCHEMBL3436357 0.83 SLC18A3 (0.57) SLC18A3ADRB1ALDH1A1HPGDSMN1; SMN2
SCHEMBL3909505 0.82 KDM4E (0.42) SLC18A3ALDH1A1HPGDSMN1; SMN2RAD52
SCHEMBL3900964 0.82 KDM4E (0.42) SLC18A3ALDH1A1HPGDSMN1; SMN2RAD52
SCHEMBL3894712 0.82 KDM4E (0.42) SLC18A3ALDH1A1HPGDSMN1; SMN2RAD52
SCHEMBL3436633 0.81 SLC18A3 (0.64) SLC18A3ADRB1ALDH1A1HPGDSMN1; SMN2

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 6 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
EP-0505377-B1 MUSCARINIC RECEPTOR ANTAGONISTS PFIZER LTD (GB) 1996-01-03 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 37/4885ALDH1A1 975/4885

“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.