SCHEMBL4036894

SCHEMBL4036894

CN1CCN(C(=O)C2CCOCC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.62
LMNA P02545 2/20 0.61
HRH3 Q9Y5N1 1/20 0.54
TSHR P16473 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.47
RECQL P46063 1/20 0.47
POLB P06746 1/20 0.47
PPP5C P53041 2/20 0.47
PPP2CA P67775 1/20 0.47
TFPI2 P48307 1/20 0.47
NPY4R P50391 1/20 0.47
GPR183 P32249 1/20 0.47
KCNH2 Q12809 1/20 0.47
PKM P14618 1/20 0.46
CNR2 P34972 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL21584689 0.89 HTT (0.54) HTTLMNAHRH3TSHRSMN1; SMN2
SCHEMBL25629645 0.89 HTT (0.54) HTTLMNAHRH3TSHRSMN1; SMN2
SCHEMBL20683271 0.89 HTT (0.64) HTTLMNAHRH3TSHRSMN1; SMN2
SCHEMBL2075903 0.86 HTT (0.81) HTTLMNATSHRALDH1A1HPGD
SCHEMBL2077746 0.85 TSHR (0.65) HTTLMNATSHRSMN1; SMN2ALDH1A1
SCHEMBL8194135 0.84 HTT (0.71) HTTLMNATSHRSMN1; SMN2ALDH1A1
SCHEMBL3595898 0.82 TSHR (0.52) HTTLMNAHRH3TSHRSMN1; SMN2
SCHEMBL4036891 0.82 TSHR (0.52) HTTLMNAHRH3TSHRSMN1; SMN2
SCHEMBL18415359 0.82 HPGD (0.68) HTTLMNAHRH3TSHRSMN1; SMN2
SCHEMBL12632672 0.82 LMNA (0.79) HTTLMNATSHRSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023121413-A1 NOVEL BICYCLIC HETEROCYCLYL COMPOUND AND USE THEREOF 제일약품주식회사 2023-06-29 WO disclosed
WO-2023093832-A1 TRICYCLIC DERIVATIVE AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海济煜医药科技有限公司 2023-06-01 WO disclosed
US-11168090-B2 Substituted pyrazolo[1,5-a]pyrazines as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2021-11-09 US disclosed
US-20200055860-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC 2020-02-20 US disclosed
US-10472352-B2 Rac inhibitors Geneyus LLC (US) 2019-11-12 US disclosed
US-20190031647-A1 RAC INHIBITORS Geneyus LLC (US) 2019-01-31 US disclosed
US-10174028-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-01-08 US disclosed
US-20180179203-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-06-28 US 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
US-20170001990-A1 PIPERIDINE-DIONE DERIVATIVES GENENTECH, INC. (US) 2017-01-05 US disclosed
US-20090048269-A1 CHEMICAL COMPOUNDS-821 ASTRAZENECA AB (SE) 2009-02-19 US disclosed
WO-2009022171-A1 PYRIDINYIIOXY PYRIDINES AS ALK5 INHIBITORS ASTRAZENECA AB (SE) 2009-02-19 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 (9 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 HTT 4246/4885LMNA 2697/4885HRH3 1340/4885
US-20190031647-A1 RAC INHIBITORS ARHGDIB, ARHGDIA, RAC1 HTT 3520/4885LMNA 3071/4885HRH3 2631/4885
US-20200055860-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, ROR1 HTT 3810/4885LMNA 2693/4885HRH3 1469/4885
US-20170001990-A1 PIPERIDINE-DIONE DERIVATIVES DRD4, ADORA1, ADORA3 HTT 292/4885LMNA 2237/4885HRH3 75/4885
US-10174028-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, ROR1, BRAF HTT 4246/4885LMNA 2697/4885HRH3 1340/4885
US-20180179203-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF HTT 4246/4885LMNA 2697/4885HRH3 1340/4885
US-20090048269-A1 CHEMICAL COMPOUNDS-821 TGFBR1, TGFBR2, SMAD3 HTT 4346/4885LMNA 2739/4885HRH3 495/4885
US-11168090-B2 Substituted pyrazolo[1,5-a]pyrazines as RET kinase inhibitors RET, BRAF, ROR1 HTT 3871/4885LMNA 2727/4885HRH3 1487/4885
US-10472352-B2 Rac inhibitors ARHGDIB, ARHGDIA, RAC1 HTT 3520/4885LMNA 3071/4885HRH3 2631/4885

“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.