SCHEMBL17696696

SCHEMBL17696696

CCCCOC(=O)Cn1cnc(CCNC(C)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.41
▸ MTNR1A P48039 8/20 0.41
▸ ACACB O00763 2/20 0.40
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CPB2 Q96IY4 3/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CPB1 P15086 1/20 0.37
▸ MTNR1B P49286 5/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL12662749 0.79 CPB2 (0.50) ALDH1A1MTNR1AACACBCPB2LMNA
SCHEMBL12662747 0.78 CPB2 (0.48) ALDH1A1MTNR1AACACBCPB2LMNA
SCHEMBL15065061 0.73 CPB2 (0.47) ALDH1A1MTNR1AACACBCPB2LMNA
SCHEMBL13256665 0.72 CPB2 (0.41) ALDH1A1MTNR1AACACBMEN1KMT2A
SCHEMBL17665491 0.72 MEN1 (0.42) ALDH1A1MEN1KMT2ACPB2LMNA
SCHEMBL13256666 0.71 PIK3CG (0.49) MTNR1AACACBCPB2CPB1
SCHEMBL4388519 0.70 CYP2C9 (0.51) ALDH1A1MTNR1AACACBLMNAMTNR1B
SCHEMBL1025097 0.69 RAB9A (0.52) ALDH1A1RAB9A
SCHEMBL2027274 0.68 ALDH1A1 (0.50) ALDH1A1LMNA
SCHEMBL31483145 0.67 CPB2 (0.52) CPB2CPB1

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
US-20170327520-A1 CONJUGATED BISPHOSPHONATES FOR THE DIAGNOSIS AND THERAPY OF BONE DISEASES SCV GMBH (DE) 2017-11-16 — — US disclosed
WO-2016058704-A1 CONJUGATED BISPHOSPHONATES FOR THE DIAGNOSIS AND THERAPY OF BONE DISEASES SCV GMBH (DE) 2016-04-21 — — 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-20170327520-A1 CONJUGATED BISPHOSPHONATES FOR THE DIAGNOSIS AND THERAPY OF BONE DISEASES PTH1R, VDR, MEN1 ALDH1A1 4006/4885MTNR1A 1985/4885ACACB 4461/4885

“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