SCHEMBL20970518

SCHEMBL20970518

CCN1CCC(C(=O)N(C)C(C)C(C)C)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
HSD11B1 P28845 2/20 0.38
GAA P10253 1/20 0.36
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 3/20 0.36
PKM P14618 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
TSHR P16473 1/20 0.33
CCR5 P51681 1/20 0.33
CYP2D6 P10635 1/20 0.33
POLB P06746 1/20 0.33
HSD17B10 Q99714 1/20 0.33
BCHE P06276 1/20 0.32
EPHX1 P07099 1/20 0.32

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
SCHEMBL22156365 0.87 SMN1; SMN2 (0.53) SMN1; SMN2HSD11B1GAAKDM4EALDH1A1
SCHEMBL4550355 0.79 SMN1; SMN2 (0.60) SMN1; SMN2HSD11B1GAAKDM4EALDH1A1
SCHEMBL17831921 0.73 SMN1; SMN2 (0.53) SMN1; SMN2HSD11B1KDM4EALDH1A1PKM
SCHEMBL20353652 0.72 SMN1; SMN2 (0.47) SMN1; SMN2HSD11B1GAAKDM4EALDH1A1
SCHEMBL26170625 0.72 KMT2A (0.47) KDM4EALDH1A1KMT2AMEN1TSHR
SCHEMBL12674136 0.72 SMN1; SMN2 (0.60) SMN1; SMN2HSD11B1GAAKDM4EALDH1A1
SCHEMBL20462329 0.71 SMN1; SMN2 (0.50) SMN1; SMN2HSD11B1KDM4EALDH1A1PKM
SCHEMBL27812858 0.70 SMN1; SMN2 (0.69) SMN1; SMN2HSD11B1KDM4EMAPTKMT2A
SCHEMBL25568039 0.70 CCR5 (0.42) SMN1; SMN2KDM4EALDH1A1KMT2AMEN1
SCHEMBL22156369 0.69 SMN1; SMN2 (0.35) SMN1; SMN2HSD11B1GAABCHE

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-20190127375-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2019-05-02 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-20190127375-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF SMN1; SMN2 989/4885HSD11B1 2562/4885GAA 2839/4885

“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.