SCHEMBL20154540

SCHEMBL20154540

CCCCC1CCN(CCOC)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.52
GNAO1 P09471 4/20 0.47
CYP1A2 P05177 1/20 0.44
CHRM1 P11229 4/20 0.43
CHRM2 P08172 3/20 0.43
CHRM4 P08173 3/20 0.43
CHRM5 P08912 3/20 0.43
DRD2 P14416 3/20 0.43
CHRM3 P20309 3/20 0.43
DRD4 P21917 3/20 0.43
ADRA1D P25100 2/20 0.43
ADRA1A P35348 2/20 0.43
ADRA1B P35368 2/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
HRH1 P35367 1/20 0.43
DRD3 P35462 2/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41

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
SCHEMBL6750686 0.89 HRH3 (0.49) HRH3GNAO1CHRM1CHRM2CHRM4
SCHEMBL23205040 0.85 KDM1A (0.40) HRH3GNAO1KDM1A
SCHEMBL4371147 0.84 HRH3 (0.39) HRH3GNAO1CHRM1CHRM2CHRM4
SCHEMBL4371150 0.84 GBA1 (0.41) HRH3GNAO1CHRM1CHRM2CHRM4
SCHEMBL19865663 0.83 GNAO1 (0.60) HRH3GNAO1GNAI3GNAI1KCNH2
SCHEMBL5197870 0.83 GNAO1 (0.54) HRH3GNAO1CYP1A2CHRM1CHRM2
SCHEMBL20231540 0.81 DRD2 (0.42) HRH3GNAO1DRD2HTR4
SCHEMBL12083 0.81 KDM1A (0.40) HRH3DRD2HRH1KDM1A
SCHEMBL13570070 0.80 CYP1A2 (0.43) HRH3CYP1A2
SCHEMBL4376655 0.80 ACHE (0.44) HRH3KDM1AKCNH2ACHE

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-10172851-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-01-08 US disclosed
US-20180133213-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 (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-10172851-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, ROR1, BRAF HRH3 1148/4885GNAO1 884/4885CYP1A2 3812/4885
US-20180133213-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF HRH3 1148/4885GNAO1 884/4885CYP1A2 3812/4885

“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.