SCHEMBL4725671

SCHEMBL4725671

CC(C)C1CN(c2nc(O)c3ccccc3n2)CCN1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
ALDH1A1 P00352 4/20 0.44
HPGD P15428 4/20 0.44
KDM4E B2RXH2 4/20 0.43
PRKCQ Q04759 3/20 0.43
PRKCD Q05655 1/20 0.43
SPAST Q9UBP0 1/20 0.41
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 2/20 0.41
HTR2A P28223 1/20 0.41
HDAC1 Q13547 1/20 0.40
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
GAA P10253 3/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 2/20 0.38
HTR3A P46098 1/20 0.38

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
SCHEMBL14258880 0.88 TSHR (0.47) TSHRALDH1A1HPGDKDM4EPRKCQ
SCHEMBL4726050 0.86 TSHR (0.46) TSHRALDH1A1HPGDKDM4EPRKCQ
SCHEMBL4779583 0.78 HTR3A (0.52) PRKCQPRKCDROCK2ROCK1HDAC1
SCHEMBL4778282 0.75 HTR3A (0.57) MAPTHTR3A
SCHEMBL24213034 0.73 ADRB1 (0.47) PRKCQPRKCDROCK2ROCK1HDAC1
SCHEMBL15543239 0.73 KDM4E (0.57) ALDH1A1HPGDKDM4EPRKCQPRKCD
SCHEMBL15542775 0.73 CYP1A2 (0.52) TSHRALDH1A1KDM4EPRKCQPRKCD
SCHEMBL15589109 0.73 HSD11B1 (0.44) PRKCQPRKCDKMT2AHTR3A
SCHEMBL19035699 0.72 PRKCQ (0.49) TSHRALDH1A1HPGDKDM4EPRKCQ
SCHEMBL14311291 0.72 HTR3A (0.58) PRKCQPRKCDMAPTHTR3A

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-20080076924-A1 Piperazines as P2X7 antagonists ABBOTT LABORATORIES 2008-03-27 US disclosed
WO-2008005368-A2 PIPERAZINES AS P2X7 ANTAGONISTS ABBOTT LABORATORIES (US) 2008-01-10 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-20080076924-A1 Piperazines as P2X7 antagonists P2RX7, P2RX1, P2RX2 TSHR 2283/4885ALDH1A1 852/4885HPGD 766/4885

“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.