SCHEMBL584639

SCHEMBL584639

COCC1(NC(=O)OCc2ccccc2)CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
CPB1 P15086 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
TSHR P16473 2/20 0.41
CYP2C19 P33261 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ATM Q13315 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
SCHEMBL29420342 0.91 CTSL (0.50) MEN1KMT2ACTSLCTSBCTSS
SCHEMBL646194 0.88 CTSS (0.54) MEN1KMT2ACTSLCTSBCTSS
SCHEMBL10239127 0.87 CTSL (0.47) MEN1KMT2ANPSR1CTSLCTSB
SCHEMBL584447 0.86 MEN1 (0.47) MEN1KMT2ANPSR1CTSLCTSB
SCHEMBL607996 0.85 CTSB (0.46) MEN1KMT2ACTSLCTSBCTSS
SCHEMBL14894968 0.81 CTSL (0.44) MEN1KMT2ANPSR1CTSLCTSB
SCHEMBL10190519 0.80 CTSL (0.42) MEN1KMT2ANPSR1CTSLCTSB
SCHEMBL8234255 0.80 CTSS (0.53) MEN1KMT2ANPSR1CTSLCTSB
SCHEMBL2704426 0.79 CTSS (0.52) MEN1KMT2ANPSR1CTSLCTSB
SCHEMBL26926130 0.79 CTSB (0.43) MEN1KMT2ANPSR1CTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220204510-A1 2,3-DIHYDRO-1H-PYRROLIZINE-7-FORMAMIDE DERIVATIVE AND APPLICATION THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-06-30 US disclosed
EP-3805223-A1 2,3-DIHYDRO-1H-PYRROLIZINE-7-FORMAMIDE DERIVATIVE AND APPLICATION THEREOF Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2021-04-14 EP disclosed
US-8591943-B2 Pyrazolo[1,5-a]pyrimidine derivatives as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-26 US disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 US disclosed
EP-2417138-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS Schering Corporation (US) 2012-02-15 EP disclosed
WO-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 WO disclosed
WO-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 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 (2 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-20220204510-A1 2,3-DIHYDRO-1H-PYRROLIZINE-7-FORMAMIDE DERIVATIVE AND APPLICATION THEREOF DPYD, EIF2AK2, INF2 MEN1 3273/4885KMT2A 1796/4885NPSR1 3279/4885
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR MEN1 1398/4885KMT2A 2825/4885NPSR1 4243/4885

“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.