SCHEMBL18390073

SCHEMBL18390073

CN1CCN(C(=O)CC2CCOC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 7/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.39
▸ RET P07949 1/20 0.38
▸ ADAM10 O14672 1/20 0.37
▸ ERBB2 P04626 1/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ SMYD3 Q9H7B4 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ PPP5C P53041 2/20 0.36
▸ PPP2CA P67775 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
SCHEMBL13779970 0.90 NAMPT (0.45) NAMPTHRH3ADAM10ERBB2MMP2
SCHEMBL21732987 0.84 HSD11B1 (0.49) NAMPTCNR1CNR2ALOX15TSHR
SCHEMBL24308809 0.83 NAMPT (0.40) NAMPTRETADAM10ERBB2MMP2
SCHEMBL18704942 0.83 HRH3 (0.42) NAMPTHRH3
SCHEMBL20328051 0.81 NAMPT (0.39) NAMPTHRH3RETCNR1CNR2
SCHEMBL16838103 0.81 NAMPT (0.56) NAMPTADAM10ERBB2MMP2MMP9
SCHEMBL20970840 0.80 NAMPT (0.38) NAMPTHRH3RETCNR1CNR2
SCHEMBL12049756 0.79 NAMPT (0.50) NAMPTADAM10ERBB2MMP2MMP9
SCHEMBL8915842 0.77 L3MBTL1 (0.46) NAMPTSMYD3L3MBTL1ALOX15TSHR
SCHEMBL16083807 0.76 L3MBTL1 (0.39) HRH3CYP1A2TDP1L3MBTL1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3322706-B1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2020-11-11 — — EP disclosed
WO-2018136661-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ANDREWS STEVEN W (US) 2018-07-26 — — WO disclosed
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 NAMPT 3149/4885HRH3 1340/4885RET 1/4885

“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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