SCHEMBL19602329

SCHEMBL19602329

CC(=O)NCCc1cn(CC(=O)O)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.41
▸ CPB2 Q96IY4 6/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ F13A1 P00488 1/20 0.37
▸ ACACB O00763 1/20 0.37
▸ QPCT Q16769 1/20 0.37
▸ QPCTL Q9NXS2 1/20 0.37
▸ CPB1 P15086 1/20 0.36
▸ MTNR1A P48039 4/20 0.36
▸ MTNR1B P49286 2/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ BLM P54132 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
SCHEMBL1911274 0.85 CPB2 (0.46) TAAR1CPB2CPB1ALDH1A1LMNA
SCHEMBL12662747 0.85 CPB2 (0.48) CPB2KDM4EF13A1ACACBQPCT
SCHEMBL12662749 0.82 CPB2 (0.50) CPB2KDM4EF13A1ACACBQPCT
SCHEMBL13256665 0.81 CPB2 (0.41) CPB2KDM4EF13A1ACACBQPCT
SCHEMBL13256666 0.80 PIK3CG (0.49) CPB2KDM4EF13A1ACACBQPCT
SCHEMBL19602328 0.79 MAPK1 (0.43) TAAR1MTNR1AMTNR1BRAB9AKMT2A
SCHEMBL15065061 0.79 CPB2 (0.47) CPB2KDM4EF13A1ACACBCPB1
SCHEMBL17696696 0.79 ALDH1A1 (0.41) CPB2ACACBCPB1MTNR1AMTNR1B
SCHEMBL4388519 0.78 CYP2C9 (0.51) KDM4EF13A1ACACBQPCTQPCTL
SCHEMBL239541 0.76 CYP2C9 (0.49) TAAR1CPB2CPB1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3206720-B1 CONJUGATED BISPHOSPHONATES FOR THE DIAGNOSIS AND THERAPY OF BONE DISEASES SCV GMBH (DE) 2020-04-22 — — EP disclosed
US-20170327520-A1 CONJUGATED BISPHOSPHONATES FOR THE DIAGNOSIS AND THERAPY OF BONE DISEASES SCV GMBH (DE) 2017-11-16 — — 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-20170327520-A1 CONJUGATED BISPHOSPHONATES FOR THE DIAGNOSIS AND THERAPY OF BONE DISEASES PTH1R, VDR, MEN1 TAAR1 1528/4885CPB2 2640/4885KDM4E 3345/4885

“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.

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