SCHEMBL18389969

SCHEMBL18389969

CN1CCN(C(=O)N(C)C2CC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.50
CYP1A2 P05177 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
VNN1 O95497 1/20 0.43
HSD11B1 P28845 2/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 1/20 0.41
ALDH1A1 P00352 2/20 0.40
EPHX2 P34913 1/20 0.39
PPP5C P53041 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PPP2CA P67775 1/20 0.38
TFPI2 P48307 1/20 0.38
NPY4R P50391 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
SCHEMBL25568891 0.94 HTR1A (0.48) HTR1ACYP1A2TDP1VNN1HSD11B1
SCHEMBL1561215 0.91 LMNA (0.49) HTR1ACYP1A2TDP1VNN1HSD11B1
SCHEMBL19012442 0.88 MAPT (0.45) HTR1ACYP1A2TDP1VNN1HSD11B1
SCHEMBL1561145 0.88 HTR1A (0.43) HTR1ACYP1A2TDP1VNN1HSD11B1
SCHEMBL31097151 0.82 HPGD (0.43) HSD11B1HTTALDH1A1
SCHEMBL24371412 0.81 VNN1 (0.50) HTR1ACYP1A2TDP1VNN1
SCHEMBL20346242 0.81 HRH3 (0.47)
SCHEMBL30967376 0.80 ALDH1A1 (0.42) HTR1AVNN1HSD11B1LMNAALDH1A1
SCHEMBL25568886 0.80 HTR1A (0.43) HTR1ACYP1A2TDP1VNN1HSD11B1
SCHEMBL1561876 0.80 HTR1A (0.40) HTR1ACYP1A2TDP1VNN1HSD11B1

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
US-20170096425-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2017-04-06 US disclosed
WO-2017011776-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2017-01-19 WO 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-20170096425-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF HTR1A 2573/4885CYP1A2 3702/4885TDP1 755/4885

“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.