SCHEMBL969087

SCHEMBL969087

COc1nc(C)nc2oc3c(c12)CCN(CC(=O)N1CCN(C2CCC2)CC1)C3

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
MAPK1 P28482 2/20 0.36
HSD17B10 Q99714 2/20 0.36
PARP1 P09874 1/20 0.35
HRH3 Q9Y5N1 6/20 0.35
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 2/20 0.34
CBX7 O95931 1/20 0.32
CDYL2 Q8N8U2 1/20 0.32
CDYL Q9Y232 1/20 0.32
MAPT P10636 2/20 0.32
POLB P06746 1/20 0.32
HDAC1 Q13547 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 2/20 0.31
G6PD P11413 1/20 0.31
HPGD P15428 1/20 0.31
CACNA1B Q00975 1/20 0.31

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
SCHEMBL13985897 0.85 PARP1 (0.35) TSHRMAPK1HSD17B10PARP1HRH3
SCHEMBL969376 0.80 PARP1 (0.40) TSHRMAPK1HSD17B10PARP1HRH3
SCHEMBL971437 0.78 PARP1 (0.38) TSHRHSD17B10PARP1HRH3RAB9A
SCHEMBL967576 0.78 PARP1 (0.42) TSHRMAPK1HSD17B10PARP1HRH3
SCHEMBL969526 0.75 HRH3 (0.39) TSHRMAPK1HSD17B10PARP1HRH3
SCHEMBL967205 0.74 PARP1 (0.39) PARP1HRH3RAB9AALDH1A1KMT2A
SCHEMBL969868 0.73 PARP1 (0.42) PARP1HRH3RAB9AALDH1A1KMT2A
SCHEMBL971322 0.73 PARP1 (0.39) PARP1HRH3RAB9AALDH1A1KMT2A
SCHEMBL967866 0.73 PARP1 (0.40) PARP1HRH3ALDH1A1KMT2ACBX7
SCHEMBL12920066 0.73 PARP1 (0.40) PARP1HRH3ALDH1A1KMT2ACBX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110002855-A1 PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2011-01-06 US disclosed
US-20110002855-A1 PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2011-01-06 US disclosed
US-20110002855-A1 PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2011-01-06 US 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-20110002855-A1 PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES HRH3, HRH4, HRH1 TSHR 405/4885MAPK1 4109/4885HSD17B10 2686/4885

“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.