SCHEMBL21470656

SCHEMBL21470656

COC(=O)C1CCc2ccc(OC(=O)OC(C)(C)C)cc2N1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.41
ELANE P08246 1/20 0.39
KDM1A O60341 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MTNR1A P48039 2/20 0.37
KMT2A Q03164 1/20 0.37
MTNR1B P49286 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HDAC8 Q9BY41 3/20 0.36
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 1/20 0.35
STS P08842 2/20 0.35
ESR2 Q92731 1/20 0.34
PDE4B Q07343 1/20 0.34
ACHE P22303 1/20 0.34

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
SCHEMBL21465749 0.93 KMT2A (0.38) PTPN1ELANEKDM1AALDH1A1MTNR1A
SCHEMBL21470666 0.84 ESR2 (0.47) PTPN1ALDH1A1MTNR1AKMT2AMTNR1B
SCHEMBL21490396 0.82 KMT2A (0.46) PTPN1KMT2A
SCHEMBL29443080 0.82 KMT2A (0.46) PTPN1KMT2A
SCHEMBL21490330 0.82 PTPN1 (0.47) PTPN1ALDH1A1HDAC8NR1H2NR1H3
SCHEMBL29442988 0.82 PTPN1 (0.47) PTPN1ALDH1A1HDAC8NR1H2NR1H3
SCHEMBL19902536 0.76 PTPN1 (0.48) PTPN1KMT2AHDAC8NR1H2NR1H3
SCHEMBL21447269 0.76 PTPN1 (0.48) PTPN1NPC1RAB9AHDAC8NR1H2
SCHEMBL21465819 0.74 ELANE (0.41) ELANEKDM1AALDH1A1MTNR1AMTNR1B
SCHEMBL6110177 0.74 BRD4 (0.43) ELANEKDM1AALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210139484-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS GOSSAMER BIO SERVICES INC (US) 2021-05-13 US disclosed
US-20210139484-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS GOSSAMER BIO SERVICES INC (US) 2021-05-13 US disclosed
WO-2019200120-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS LYCERA CORPORATION (US) 2019-10-17 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-20210139484-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS ULK1, PHKG2, PHKG1 PTPN1 3186/4885ELANE 2775/4885KDM1A 676/4885

“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.