SCHEMBL20970531

SCHEMBL20970531

CCN1CCN(C(=O)C(O)C(F)(F)F)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 2/20 0.43
▸ HSD11B1 P28845 7/20 0.41
▸ KDM4E B2RXH2 4/20 0.39
▸ DUSP3 P51452 2/20 0.37
▸ PTPN5 P54829 2/20 0.37
▸ PTPN11 Q06124 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL18389809 0.79 CYP1A2 (0.45) CHRM1CYP1A2MEN1KMT2A
SCHEMBL8211157 0.77 CHRM1 (0.47) CHRM1HSD11B1KDM4ECYP2C19ALDH1A1
SCHEMBL8211156 0.77 CHRM1 (0.47) CHRM1HSD11B1KDM4ECYP2C19ALDH1A1
SCHEMBL3478043 0.77 CHRM1 (0.47) CHRM1HSD11B1KDM4ECYP2C19ALDH1A1
SCHEMBL8829682 0.77 HPGD (0.43) ALDH1A1MEN1KMT2A
SCHEMBL8829683 0.77 HPGD (0.43) ALDH1A1MEN1KMT2A
SCHEMBL18713205 0.76 EPHX2 (0.45) CHRM1CYP2D6
SCHEMBL19541097 0.75 HPGD (0.46) ALDH1A1MEN1KMT2A
SCHEMBL19540884 0.75 HPGD (0.46) ALDH1A1MEN1KMT2A
SCHEMBL12141187 0.75 CHRM1 (0.49) CHRM1HSD11B1KDM4EMEN1MAPT

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 CHRM1 2165/4885HSD11B1 2562/4885KDM4E 695/4885

“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.

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