SCHEMBL19618698

SCHEMBL19618698

COC(=O)[C@H](C)n1cnc(C)n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP7 P55210 1/20 0.34
PHGDH O43175 1/20 0.33
HPGD P15428 1/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP26A1 O43174 2/20 0.32
LMNA P02545 2/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL14908426 0.84 NPSR1 (0.41) SMN1; SMN2ALDH1A1TSHRMAPK1HPGD
SCHEMBL14908425 0.81 KDM4E (0.41) ALDH1A1TSHRHPGDPOLBLMNA
SCHEMBL941690 0.81 KDM4E (0.41) ALDH1A1TSHRHPGDPOLBLMNA
SCHEMBL908755 0.81 KMT2A (0.35) RECQLALDH1A1POLBNPSR1LMNA
SCHEMBL25027007 0.70 ALDH1A1 (0.37) RECQLSMN1; SMN2ALDH1A1MAPK1PHGDH
SCHEMBL908831 0.70 HTT (0.36) RECQLSMN1; SMN2ALDH1A1PHGDHHPGD
SCHEMBL2830866 0.69 PDE4D (0.39) ALDH1A1POLBCYP26A1LMNAKMT2A
SCHEMBL10492468 0.69 GAA (0.37) RECQLSMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL30730193 0.69 ALDH1A1 (0.34) RECQLALDH1A1HPGDCYP26A1LMNA
SCHEMBL24618265 0.67 KMT2A (0.35) RECQLALDH1A1LMNAKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11708371-B2 Process for making beta 3 agonists and intermediates MERCK SHARP & DOHME CORP. (US) 2023-07-25 US disclosed
US-20210221815-A1 Process for Making Beta 3 Agonists and Intermediates MERCK SHARP & DOHME CORP. (US) 2021-07-22 US disclosed
US-20200031838-A1 Process for Making Beta 3 Agonists and Intermediates MERCK SHARP & DOHME CORP. (US) 2020-01-30 US disclosed
US-10435410-B2 Process for making beta 3 agonists and intermediates MERCK SHARP & DOHME CORPORATION (US) 2019-10-08 US disclosed
US-20190016729-A1 PROCESS FOR MAKING BETA 3 AGONISTS AND INTERMEDIATES MERCK SHARP & DOHME CORP. (US) 2019-01-17 US disclosed
US-20180065973-A1 PROCESS FOR MAKING BETA 3 AGONISTS AND INTERMEDIATES MERCK SHARP & DOHME CORP. (US) 2018-03-08 US disclosed
US-9822121-B2 Process for making beta 3 agonists and intermediates MERCK SHARP & DOHME CORP. (US) 2017-11-21 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 (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-20210221815-A1 Process for Making Beta 3 Agonists and Intermediates ADRB3, ADRB2, ADRB1 RECQL 2169/4885SMN1; SMN2 2205/4885ALDH1A1 293/4885
US-10435410-B2 Process for making beta 3 agonists and intermediates ADRB3, ADRB2, ADRB1 RECQL 2169/4885SMN1; SMN2 2205/4885ALDH1A1 293/4885
US-20180065973-A1 PROCESS FOR MAKING BETA 3 AGONISTS AND INTERMEDIATES ADRB3, ADRB2, ADRB1 RECQL 2169/4885SMN1; SMN2 2205/4885ALDH1A1 293/4885
US-20190016729-A1 PROCESS FOR MAKING BETA 3 AGONISTS AND INTERMEDIATES ADRB3, ADRB2, ADRB1 RECQL 2169/4885SMN1; SMN2 2205/4885ALDH1A1 293/4885
US-11708371-B2 Process for making beta 3 agonists and intermediates ADRB3, ADRB2, ADRB1 RECQL 2169/4885SMN1; SMN2 2205/4885ALDH1A1 293/4885
US-20200031838-A1 Process for Making Beta 3 Agonists and Intermediates ADRB3, ADRB2, ADRB1 RECQL 2169/4885SMN1; SMN2 2205/4885ALDH1A1 293/4885

“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.