SCHEMBL14650782

SCHEMBL14650782

CC1CC2(CCN1C(=O)OC(C)(C)C)OC(O)(c1cc(Cl)ccn1)c1ccccc12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.39
▸ JAK1 P23458 2/20 0.39
▸ ACACB O00763 1/20 0.39
▸ NR1H2 P55055 6/20 0.37
▸ RXRA P19793 5/20 0.37
▸ NR1H3 Q13133 5/20 0.37
▸ GRM5 P41594 1/20 0.37
▸ KDM1A O60341 1/20 0.35
▸ FNTA P49354 3/20 0.34
▸ FNTB P49356 3/20 0.34
▸ HDAC1 Q13547 1/20 0.33
▸ EIF2AK4 Q9P2K8 1/20 0.33
▸ USP30 Q70CQ3 1/20 0.33
▸ STS P08842 1/20 0.33
▸ POLB P06746 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
SCHEMBL12175568 0.86 POLB (0.41) JAK2JAK1ACACBFNTAFNTB
SCHEMBL14650767 0.79 PRCP (0.51) JAK2JAK1NR1H2GRM5
SCHEMBL14650760 0.78 POLB (0.44) JAK2JAK1ACACBFNTAFNTB
SCHEMBL30623411 0.73 GRM5 (0.37) JAK2JAK1NR1H2RXRANR1H3
SCHEMBL14650761 0.71 KDM1A (0.43) JAK2JAK1NR1H2RXRANR1H3
SCHEMBL14650759 0.69 STS (0.42) HDAC1STS
SCHEMBL14650758 0.69 PRCP (0.53) JAK2JAK1NR1H2RXRANR1H3
SCHEMBL18616707 0.69 GRM5 (0.44) JAK2JAK1NR1H2RXRANR1H3
SCHEMBL30623236 0.69 ACACB (0.34) JAK2JAK1ACACBNR1H2RXRA
SCHEMBL13858221 0.68 POLB (0.47) JAK2JAK1ACACBEIF2AK4STS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785634-B2 Spiropiperidine prolylcarboxypeptidase inhibitors MERCK SHARP & DOHME CORP (US) 2014-07-22 — — US disclosed
US-8785634-B2 Spiropiperidine prolylcarboxypeptidase inhibitors MERCK SHARP & DOHME CORP (US) 2014-07-22 — — US disclosed
US-20130023515-A1 NOVEL SPIROPIPERIDINE PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-01-24 — — US disclosed
US-20130023515-A1 NOVEL SPIROPIPERIDINE PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-01-24 — — 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 (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-20130023515-A1 NOVEL SPIROPIPERIDINE PROLYLCARBOXYPEPTIDASE INHIBITORS PRCP, PREP, PEPD JAK2 3310/4885JAK1 4624/4885ACACB 489/4885

“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.

Send feedback