SCHEMBL8034375

SCHEMBL8034375

CC1c2ccc(C(=O)NC3CC3)n2CCN1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
HTT P42858 1/20 0.47
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
TSHR P16473 3/20 0.38
HSD17B10 Q99714 2/20 0.38
CREBBP Q92793 1/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
SMYD3 Q9H7B4 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
KAT2B Q92831 1/20 0.36
CDC42 P60953 3/20 0.36
RAC1 P63000 3/20 0.36
PTGS1 P23219 2/20 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
SCHEMBL8028545 0.84 KDM4E (0.37) KDM4ENPC1RAB9AALDH1A1GAA
SCHEMBL19889034 0.81 KDM4E (0.38) KDM4EHTTNPC1RAB9ATSHR
SCHEMBL8028552 0.80 MAPT (0.42) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL929605 0.79 NR1H2 (0.41) KDM4ENPC1ALDH1A1GAAMEN1
SCHEMBL928147 0.78 RAB9A (0.41) KDM4EHTTNPC1RAB9ATSHR
SCHEMBL8031760 0.74 KDM4E (0.43) KDM4EHTTNPC1RAB9ATSHR
SCHEMBL3816915 0.70 KDM4E (0.35) KDM4ENPC1RAB9AHSD17B10ALDH1A1
SCHEMBL31568985 0.69 FABP4 (0.37) KDM4ERAB9AHPGDALDH1A1GAA
SCHEMBL12905189 0.66 KDM4E (0.33) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL5656062 0.66 RAB9A (0.85) KDM4EHTTNPC1RAB9ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003820-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2011-01-06 US disclosed
US-20110003820-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2011-01-06 US disclosed
WO-2009095253-A1 6-HALO-PYRAZOLO[1, 5-A]PYRIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR (MGLUR) MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2009-08-06 WO disclosed
WO-2009095254-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2009-08-06 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-20110003820-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE GRM5, GRIK5, GRK5 KDM4E 1667/4885HTT 1429/4885NPC1 1976/4885

“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.