SCHEMBL12050587

SCHEMBL12050587

CC(C)(C)C1CC(=O)N(Cc2ccccc2)C1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
HPGD P15428 1/20 0.59
DPP4 P27487 3/20 0.49
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
P2RX7 Q99572 1/20 0.48
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HTT P42858 2/20 0.47
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPK1 P28482 1/20 0.46
NPC1 O15118 1/20 0.46
GLA P06280 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL12384461 0.85 HPGD (0.49) TSHRHPGDDPP4PDE4APDE4B
SCHEMBL18022506 0.85 NPC1 (0.51) TSHRHPGDALDH1A1SMN1; SMN2HTT
SCHEMBL18997067 0.85 KMT2A (0.52) HPGDDPP4ALDH1A1SMN1; SMN2HTT
SCHEMBL18997025 0.82 KMT2A (0.52) ALDH1A1SMN1; SMN2HTTLMNANPC1
SCHEMBL26325398 0.80 KMT2A (0.43) TSHRHPGDP2RX7SMN1; SMN2HTT
SCHEMBL434087 0.79 HPGD (0.64) TSHRHPGDDPP4PDE4APDE4B
SCHEMBL28882515 0.79 HPGD (0.64) TSHRHPGDDPP4PDE4APDE4B
SCHEMBL16080214 0.79 HPGD (0.64) TSHRHPGDDPP4PDE4APDE4B
SCHEMBL10461468 0.78 HTT (0.54) TSHRHPGDDPP4P2RX7ALDH1A1
SCHEMBL15291862 0.78 HPGD (0.59) TSHRHPGDDPP4PDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-11-05 US disclosed
US-8071770-B2 Spirohydantoin aryl CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-12-06 US disclosed
US-7851464-B2 Spirolactam aryl CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2010-12-14 US disclosed
US-20090247514-A1 Spirolactam aryl cgrp receptor antagonists MERCK SHARP & DOHME LLC 2009-10-01 US disclosed
US-20090239870-A1 Spirohydantoin Aryl Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2009-09-24 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 (3 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-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS RIPK1, RIPK2, RIPK4 TSHR 3798/4885HPGD 1035/4885DPP4 2723/4885
US-20090239870-A1 Spirohydantoin Aryl Cgrp Receptor Antagonists BDKRB1, BDKRB2, CALCRL TSHR 474/4885HPGD 358/4885DPP4 1394/4885
US-20090247514-A1 Spirolactam aryl cgrp receptor antagonists CALCRL, BDKRB1, CALCR TSHR 633/4885HPGD 595/4885DPP4 2058/4885

“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.