SCHEMBL4355715

SCHEMBL4355715

CC(CN1CCN(c2cccc(Cl)c2)CC1)C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
TSHR P16473 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
MAPT P10636 1/20 0.62
ALOX15 P16050 1/20 0.62
CYP2C19 P33261 1/20 0.62
HIF1A Q16665 1/20 0.62
GMNN O75496 1/20 0.60
LMNA P02545 1/20 0.60
BLM P54132 1/20 0.60
PMP22 Q01453 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
IGF1R P08069 1/20 0.57
KCNH2 Q12809 1/20 0.56
HTR1A P08908 3/20 0.55
HTR7 P34969 2/20 0.55

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
SCHEMBL12041786 0.85 SMN1; SMN2 (0.59) MEN1KMT2AMAPTLMNAHTR1A
SCHEMBL17207530 0.84 POLB (0.65) MEN1KMT2ATSHRCYP1A2CYP3A4
SCHEMBL381655 0.83 SMN1; SMN2 (0.58) MEN1KMT2AMAPTLMNAHTR1A
SCHEMBL8531897 0.81 KCNH2 (0.58) MEN1KMT2ATSHRCYP1A2CYP3A4
SCHEMBL11214293 0.79 HTR1A (0.56) MEN1KMT2ATSHRLMNANPSR1
SCHEMBL10757967 0.79 MEN1 (0.70) MEN1KMT2ATSHRKCNH2HTR1A
SCHEMBL8944148 0.78 IGF1R (0.79) MEN1KMT2ATSHRCYP1A2CYP3A4
Brl-15,572 SCHEMBL7741355 0.76 MEN1 (1.00) MEN1KMT2ATSHRCYP1A2CYP3A4
SCHEMBL10294634 0.76 KCNH2 (0.69) KCNH2
SCHEMBL5009485 0.76 HTR1A (0.75) MEN1KMT2ATSHRKCNH2HTR1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009105604-A1 SUBSTITUTED TRIAZOLOPYRIDINES AUSPEX PHARMACEUTICALS, INC. (US) 2009-08-27 WO disclosed
US-20090209550-A1 SUBSTITUTED TRIAZOLOPYRIDINES AUSPEX PHARMACEUTICALS, INC. (US) 2009-08-20 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-20090209550-A1 SUBSTITUTED TRIAZOLOPYRIDINES HTR5A, HTR3A, HTR2C MEN1 3990/4885KMT2A 4022/4885TSHR 268/4885

“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.