SCHEMBL3758441

SCHEMBL3758441

C[C@@H](O)CN1CCN(c2cccc(N)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 2/20 0.57
DRD2 P14416 3/20 0.52
DRD3 P35462 2/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
HIF1A Q16665 1/20 0.50
GMNN O75496 1/20 0.49
LMNA P02545 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48

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
SCHEMBL2634212 1.00 ADRA2C (0.57) ADRA2CDRD2DRD3MEN1KMT2A
SCHEMBL3768808 1.00 ADRA2C (0.57) ADRA2CDRD2DRD3MEN1KMT2A
SCHEMBL519214 0.83 MAPT (0.62) ADRA2CDRD2DRD3MEN1KMT2A
SCHEMBL519213 0.83 MAPT (0.62) ADRA2CDRD2DRD3MEN1KMT2A
SCHEMBL520715 0.83 MAPT (0.62) ADRA2CDRD2DRD3MEN1KMT2A
SCHEMBL11622263 0.82 ALDH1A1 (0.68) ADRA2CDRD2DRD3MEN1KMT2A
Hydrochloric Acid SCHEMBL27352324 0.81 ALDH1A1 (0.66) ADRA2CDRD2DRD3MEN1KMT2A
Hydrochloric Acid SCHEMBL11754729 0.81 ALDH1A1 (0.66) ADRA2CDRD2DRD3MEN1KMT2A
Hydrochloric Acid SCHEMBL8576435 0.79 IGF1R (0.65) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL1126080 0.79 GAA (0.66) ADRA2CDRD2MAPTLMNAKDM4E

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-8633173-B2 Preparation and uses of 1,2,4-triazolo [1,5a] pyridine derivatives CEPHALON, INC (US) 2014-01-21 US disclosed
US-20130296312-A1 Preparation and Uses of 1,2,4-Triazolo [1,5a] Pyridine Derivatives CEPHALON, INC. 2013-11-07 US disclosed
US-8501936-B2 Preparation and uses of 1,2,4-triazolo [1,5a] pyridine derivatives CEPHALON, INC. (US) 2013-08-06 US disclosed
CN-102459258-A Preparation and use of 1,2, 4-triazolo [1,5a ] pyridine derivatives CEPHALON INC 2012-05-16 CN disclosed
US-20100311693-A1 Preparation and Uses of 1,2,4-Triazolo [1,5a] Pyridine Derivatives CEPHALON, INC. (US) 2010-12-09 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 (2 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-20130296312-A1 Preparation and Uses of 1,2,4-Triazolo [1,5a] Pyridine Derivatives JAK2, JAK1, JAK3 ADRA2C 1422/4885DRD2 4003/4885DRD3 3581/4885
US-20100311693-A1 Preparation and Uses of 1,2,4-Triazolo [1,5a] Pyridine Derivatives CCNA1, CCNY, RB1 ADRA2C 2125/4885DRD2 4463/4885DRD3 4187/4885

“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.