SCHEMBL10102884

SCHEMBL10102884

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.37
CYP3A4 P08684 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
FAAH O00519 1/20 0.35
TPSAB1 Q15661 1/20 0.35
TPSD1 Q9BZJ3 1/20 0.35
TPSG1 Q9NRR2 1/20 0.35
ME2 P23368 1/20 0.35
ME1 P48163 1/20 0.35
ME3 Q16798 1/20 0.35

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
SCHEMBL23518518 0.89 ALDH1A1 (0.42) CYP3A4MEN1KMT2ACYP1A2CYP2C19
SCHEMBL19000971 0.86 SMO (0.37) HRH3CYP3A4MEN1KMT2AALDH1A1
SCHEMBL22599858 0.85 TP53 (0.44) HRH3CYP3A4MEN1KMT2AALDH1A1
SCHEMBL18704899 0.81 HRH3 (0.36) HRH3CYP3A4MEN1KMT2AALDH1A1
SCHEMBL15119958 0.81 CYP1A2 (0.48) HRH3CYP3A4MEN1KMT2ACYP1A2
SCHEMBL12139768 0.81 BLM (0.46) HRH3CYP3A4MEN1KMT2AALDH1A1
SCHEMBL803092 0.81 CYP1A2 (0.48) KMT2ACYP1A2ALDH1A1KDM4ELMNA
SCHEMBL10294017 0.81 HRH3 (0.38) HRH3CYP3A4MEN1KMT2AALDH1A1
SCHEMBL803099 0.80 MEN1 (0.52) CYP3A4MEN1KMT2ACYP1A2CYP2C19
SCHEMBL1515195 0.80 MEN1 (0.47) CYP3A4MEN1KMT2ACYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230142629-A1 BIFUNCTIONAL DEGRADERS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND THERAPEUTIC USE THEREOF GILEAD SCIENCES, INC. 2023-05-11 US disclosed
US-20230120619-A1 BIFUNCTIONAL DEGRADERS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND THERAPEUTIC USE THEREOF GILEAD SCIENCES, INC. 2023-04-20 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-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
US-8841324-B2 Heterocyclic compounds as autotaxin inhibitors MERCK PATENT GMBH (DE) 2014-09-23 US disclosed
US-20120015959-A1 HETEROCYCLIC COMPOUNDS AS AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-01-19 US disclosed
US-20120015959-A1 HETEROCYCLIC COMPOUNDS AS AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-01-19 US disclosed
WO-2010112116-A1 HETEROCYCLIC COMPOUNDS AS AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2010-10-07 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-20230120619-A1 BIFUNCTIONAL DEGRADERS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND THERAPEUTIC USE THEREOF IRAK1, IRAK2, IRAK4 HRH3 3059/4885CYP3A4 3686/4885MEN1 3256/4885
US-20170096425-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF HRH3 1340/4885CYP3A4 2929/4885MEN1 1015/4885
US-20120015959-A1 HETEROCYCLIC COMPOUNDS AS AUTOTAXIN INHIBITORS ENPP2, HAX1, MTX1 HRH3 416/4885CYP3A4 3222/4885MEN1 176/4885
US-20230142629-A1 BIFUNCTIONAL DEGRADERS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND THERAPEUTIC USE THEREOF IRAK1, IRAK2, IRAK4 HRH3 3059/4885CYP3A4 3686/4885MEN1 3256/4885
US-20180179203-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF HRH3 1340/4885CYP3A4 2929/4885MEN1 1015/4885
US-10023570-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, ROR1, BRAF HRH3 1340/4885CYP3A4 2929/4885MEN1 1015/4885

“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.