SCHEMBL606258

SCHEMBL606258

CCOC(=O)C1(NC(=O)OCc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
BACE1 P56817 1/20 0.44
TACR1 P25103 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
STS P08842 1/20 0.43
SYK P43405 1/20 0.43

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
SCHEMBL21009793 0.95 MEN1 (0.46) P2RX7MEN1KMT2ACTSLCTSB
SCHEMBL24940832 0.94 CTSL (0.45) P2RX7MEN1KMT2AALOX15TSHR
SCHEMBL2797417 0.92 MEN1 (0.46) P2RX7MEN1KMT2ACTSLCTSB
SCHEMBL25597457 0.90 BACE1 (0.43) P2RX7MEN1KMT2ATSHRCTSL
SCHEMBL3205700 0.90 CTSS (0.47) P2RX7MEN1KMT2ACTSLCTSB
SCHEMBL2206561 0.89 MEN1 (0.47) P2RX7MEN1KMT2ACTSLCTSB
SCHEMBL2208865 0.88 OPRD1 (0.47) P2RX7MEN1KMT2ACTSLCTSB
SCHEMBL2798332 0.87 CTSL (0.49) P2RX7MEN1KMT2AALOX15TSHR
SCHEMBL6507749 0.86 MEN1 (0.44) P2RX7MEN1KMT2AALOX15TSHR
SCHEMBL17766785 0.86 OPRD1 (0.46) P2RX7MEN1KMT2ACTSLCTSB

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-20120040897-A1 NOVEL DERIVATIVES OF ACYL CYANOPYRROLIDINES SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2012-02-16 US disclosed
EP-2231687-A2 NOVEL DERIVATIVES OF ACYL CYANOPYRROLIDINES Sun Pharma Advanced Research Company Limited (IN) 2010-09-29 EP disclosed
WO-2009116067-A2 NOVEL DERIVATIVES OF ACYL CYANOPYRROLIDINES SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) 2009-09-24 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-20120040897-A1 NOVEL DERIVATIVES OF ACYL CYANOPYRROLIDINES NR1D2, STARD10, NR1D1 P2RX7 2120/4885MEN1 4323/4885KMT2A 2717/4885

“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.