SCHEMBL3704313

SCHEMBL3704313

O=C1CC[C@H](c2ccc(C(=O)NC3CCN(C(=O)O)CC3)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.46
KMT2A Q03164 8/20 0.46
MEN1 O00255 6/20 0.46
TSHR P16473 2/20 0.44
POLB P06746 2/20 0.44
CRBN Q96SW2 1/20 0.43
NPC1 O15118 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 2/20 0.42
RAB9A P51151 2/20 0.42
TP53 P04637 2/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL13046401 1.00 NPSR1 (0.46) NPSR1KMT2AMEN1TSHRPOLB
SCHEMBL3697118 0.84 HDAC4 (0.54) KMT2AMEN1TSHRPOLBNPC1
SCHEMBL3705072 0.84 HDAC4 (0.54) KMT2AMEN1TSHRPOLBNPC1
SCHEMBL995119 0.77 POLB (0.66) NPSR1KMT2AMEN1POLBNPC1
SCHEMBL27900169 0.76 KMT2A (0.65) NPSR1KMT2AMEN1TSHRPOLB
SCHEMBL28801747 0.76 CHRNA7 (0.57) NPSR1KMT2AMEN1TSHRPOLB
SCHEMBL17559449 0.74 KMT2A (0.54) NPSR1KMT2AMEN1TSHRPOLB
SCHEMBL3694633 0.74 ESR2 (0.50) KMT2ATSHRCRBNNPC1TP53
SCHEMBL13163346 0.74 ESR2 (0.50) KMT2ATSHRCRBNNPC1TP53
SCHEMBL3703059 0.74 ESR2 (0.50) KMT2ATSHRCRBNNPC1TP53

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-8765676-B2 Calcium sensing receptor modulating compounds and pharmaceutical use thereof LEO PHARMA A/S (DK) 2014-07-01 US disclosed
US-20120122784-A1 NOVEL CALCIUM SENSING RECEPTOR MODULATING COMPOUNDS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2012-05-17 US disclosed
WO-2010136037-A1 NOVEL CALCIUM SENSING RECEPTOR MODULATING COMPOUNDS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2010-12-02 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-20120122784-A1 NOVEL CALCIUM SENSING RECEPTOR MODULATING COMPOUNDS AND PHARMACEUTICAL USE THEREOF CASR, SARAF, ORAI1 NPSR1 90/4885KMT2A 4730/4885MEN1 2571/4885

“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.