SCHEMBL2924516

SCHEMBL2924516

CC(C)N1CCN(C(=O)C2CCC(O)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.56
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.47
HPGD P15428 1/20 0.47
KCNH2 Q12809 2/20 0.46
CYP2D6 P10635 2/20 0.46
HTT P42858 1/20 0.46
CHRNB2 P17787 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
CHRNB3 Q05901 1/20 0.44
CHRNA6 Q15825 1/20 0.44
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL2924520 1.00 HRH3 (0.56) HRH3ALDH1A1TSHRHPGDKCNH2
SCHEMBL2926694 1.00 HRH3 (0.56) HRH3ALDH1A1TSHRHPGDKCNH2
SCHEMBL104632 0.93 HRH3 (0.63) HRH3ALDH1A1TSHRHPGDKCNH2
SCHEMBL20315429 0.90 HRH3 (0.50) HRH3ALDH1A1TSHRHPGDKCNH2
SCHEMBL14453913 0.87 HRH3 (0.66) HRH3ALDH1A1TSHRHPGDKCNH2
SCHEMBL20970557 0.86 ALDH1A1 (0.45) HRH3ALDH1A1TSHRHPGDHTT
SCHEMBL20315424 0.85 ALDH1A1 (0.67) HRH3ALDH1A1TSHRHPGDKCNH2
SCHEMBL19004863 0.85 ALDH1A1 (0.61) HRH3ALDH1A1TSHRHPGDKCNH2
SCHEMBL2403246 0.84 HRH3 (0.55) HRH3ALDH1A1TSHRHPGDKCNH2
SCHEMBL2403244 0.84 HRH3 (0.55) HRH3ALDH1A1TSHRHPGDKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190127373-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2019-05-02 US disclosed
US-10023570-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2018-07-17 US disclosed
US-20180186790-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-07-05 US disclosed
US-20180186791-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-07-05 US disclosed
US-20180179203-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-06-28 US disclosed
EP-2158189-B1 CYCLOHEXYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-09-15 EP disclosed
CN-101679331-A cyclohexyl derivatives HOFFMANN LA ROCHE 2010-03-24 CN disclosed
EP-2158189-A1 CYCLOHEXYL DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-03-03 EP disclosed
US-7544683-B2 Cyclohexyl derivatives HOFFMANN-LA ROCHE INC. (US) 2009-06-09 US disclosed
WO-2008151957-A9 CYCLOHEXYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-03-05 WO disclosed
US-20090005380-A1 CYCLOHEXYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-01 US disclosed
WO-2008151957-A1 CYCLOHEXYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-12-18 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 (6 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-20190127373-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF HRH3 1340/4885ALDH1A1 2706/4885TSHR 1622/4885
US-20090005380-A1 CYCLOHEXYL DERIVATIVES HRH3, HRH4, HCAR2 HRH3 1/4885ALDH1A1 344/4885TSHR 119/4885
US-20180186790-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF HRH3 1340/4885ALDH1A1 2706/4885TSHR 1622/4885
US-20180186791-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF HRH3 1340/4885ALDH1A1 2706/4885TSHR 1622/4885
US-20180179203-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF HRH3 1340/4885ALDH1A1 2706/4885TSHR 1622/4885
US-10023570-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, ROR1, BRAF HRH3 1340/4885ALDH1A1 2706/4885TSHR 1622/4885

“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.