SCHEMBL20147321

SCHEMBL20147321

CC(C)N1CCC(C)(COCCN2CCOCC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
ALDH1A1 P00352 4/20 0.35
HRH3 Q9Y5N1 3/20 0.35
MAPK1 P28482 2/20 0.35
CYP1A2 P05177 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
HTR2A P28223 1/20 0.35
SCN1A P35498 1/20 0.35
HTR2B P41595 1/20 0.35
KCNH2 Q12809 1/20 0.35
SCN2A Q99250 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
SCN3A Q9NY46 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KEAP1 Q14145 1/20 0.34

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
SCHEMBL20147700 0.84 RET (0.37) TSHRALDH1A1HRH3MAPK1CYP1A2
SCHEMBL20147315 0.77 HTT (0.37) TSHRALDH1A1HRH3SMN1; SMN2USP2
SCHEMBL20069070 0.76 ALDH1A1 (0.38) TSHRALDH1A1HRH3LMNAMEN1
SCHEMBL21651962 0.75 RET (0.47) ALDH1A1HRH3SMN1; SMN2LMNAMEN1
SCHEMBL20206062 0.73 RET (0.39) TSHRALDH1A1HRH3MAPK1CYP1A2
SCHEMBL20147401 0.73 HRH3 (0.32) HRH3
SCHEMBL13741087 0.72 HRH3 (0.43) TSHRALDH1A1HRH3MAPK1CYP1A2
SCHEMBL10092693 0.72 ALDH1A1 (0.50) ALDH1A1HRH3SMN1; SMN2USP2KEAP1
SCHEMBL111438 0.70 TSHR (0.58) TSHRALDH1A1HRH3MAPK1CYP1A2
SCHEMBL2608938 0.70 ALDH1A1 (0.47) TSHRALDH1A1HRH3MAPK1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180133207-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 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-20180133207-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 TSHR 1441/4885ALDH1A1 2547/4885HRH3 1000/4885

“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.