SCHEMBL1898756

SCHEMBL1898756

Cc1cccc(N2CCN(CCC3CO3)CC2)c1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
HPGD P15428 2/20 0.55
GAA P10253 1/20 0.55
KDM4E B2RXH2 1/20 0.53
POLB P06746 1/20 0.53
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
DRD2 P14416 2/20 0.49
ADRA1A P35348 2/20 0.49
HTR7 P34969 1/20 0.49
ABCB1 P08183 1/20 0.49
HTR1A P08908 1/20 0.49
DRD1 P21728 1/20 0.49
ADRA1D P25100 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
SLC6A4 P31645 1/20 0.49
ADRA1B P35368 1/20 0.49

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
SCHEMBL22302984 0.82 MEN1 (0.59) ALDH1A1MEN1KMT2AHPGDGAA
SCHEMBL24719040 0.81 TSHR (0.61) ALDH1A1MEN1KMT2AHPGDGAA
SCHEMBL25106918 0.81 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AHPGDGAA
SCHEMBL14793426 0.80 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AHPGDGAA
SCHEMBL24689924 0.80 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AHPGDGAA
SCHEMBL23330974 0.80 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AHPGDGAA
SCHEMBL4245536 0.79 ALDH1A1 (0.67) ALDH1A1MEN1KMT2AHPGDGAA
SCHEMBL11808012 0.79 ALDH1A1 (0.67) ALDH1A1MEN1KMT2AHPGDGAA
SCHEMBL28739453 0.79 ALDH1A1 (0.67) ALDH1A1MEN1KMT2AHPGDGAA
SCHEMBL3078728 0.79 DRD2 (0.63) DRD2SLC6A4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785453-B2 Arylpiperazine-containing purine derivatives and uses thereof GREEN CROSS CORPORATION (KR) 2014-07-22 US disclosed
US-8785453-B2 Arylpiperazine-containing purine derivatives and uses thereof GREEN CROSS CORPORATION (KR) 2014-07-22 US disclosed
US-8785453-B2 Arylpiperazine-containing purine derivatives and uses thereof GREEN CROSS CORPORATION (KR) 2014-07-22 US disclosed
US-20120232090-A1 ARYLPIPERAZINE-CONTAINING PURINE DERIVATIVES AND USES THEREOF GREEN CROSS CORPORATION (KR) 2012-09-13 US disclosed
US-20120232090-A1 ARYLPIPERAZINE-CONTAINING PURINE DERIVATIVES AND USES THEREOF GREEN CROSS CORPORATION (KR) 2012-09-13 US disclosed
US-20120232090-A1 ARYLPIPERAZINE-CONTAINING PURINE DERIVATIVES AND USES THEREOF GREEN CROSS CORPORATION (KR) 2012-09-13 US disclosed
WO-2011059207-A2 ARYLPIPERAZINE-CONTAINING PURINE DERIVATIVES AND USES THEREOF GREEN CROSS CORPORATION (KR) 2011-05-19 WO disclosed
WO-2011059207-A2 ARYLPIPERAZINE-CONTAINING PURINE DERIVATIVES AND USES THEREOF GREEN CROSS CORPORATION (KR) 2011-05-19 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-20120232090-A1 ARYLPIPERAZINE-CONTAINING PURINE DERIVATIVES AND USES THEREOF ADORA2A, P2RX5, PNP ALDH1A1 651/4885MEN1 4836/4885KMT2A 2363/4885

“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.