SCHEMBL13200865

SCHEMBL13200865

Cc1ccccc1C1[C@H](CO)C(CO)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GPR119 Q8TDV5 1/20 0.38
NR1I2 O75469 4/20 0.38
GRM5 P41594 2/20 0.37
BRD4 O60885 2/20 0.37
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TERT O14746 1/20 0.37

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
SCHEMBL13196692 1.00 MEN1 (0.39) MEN1KMT2AGPR119NR1I2GRM5
SCHEMBL2800961 0.84 BRD4 (0.40) BRD4
SCHEMBL13200462 0.80 TACR1 (0.43) MEN1KMT2A
SCHEMBL13196674 0.80 TACR1 (0.43) MEN1KMT2A
SCHEMBL15185026 0.79 HCRTR2 (0.42) MEN1KMT2AGPR119GRM5KDM4E
SCHEMBL15215454 0.74 LMNA (0.43) MEN1KMT2AGPR119NR1I2LMNA
SCHEMBL13200870 0.73 CCR5 (0.38) GPR119NR1I2TERT
SCHEMBL13196711 0.73 CCR5 (0.38) GPR119NR1I2TERT
SCHEMBL15185074 0.73 GRM5 (0.41) MEN1KMT2AGPR119GRM5KDM4E
SCHEMBL20170496 0.73 HSP90AA1 (0.56) MEN1KMT2ALMNANPSR1

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-20100197724-A1 6.5 -PYRROLOPIPERIDINE TACHYKININ RECEPTOR ANTAGONISTS BAO JIANMING 2010-08-05 US disclosed
WO-2009002770-A1 6.5-PYRROLOPIPERIDINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-12-31 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-20100197724-A1 6.5 -PYRROLOPIPERIDINE TACHYKININ RECEPTOR ANTAGONISTS TACR1, TACR2, HTR1D MEN1 1012/4885KMT2A 303/4885GPR119 910/4885

“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.