SCHEMBL12762465

SCHEMBL12762465

CO[C@H]1CCC(C(C)C)c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ SLC6A2 P23975 6/20 0.35
▸ SLC6A4 P31645 4/20 0.35
▸ SLC6A3 Q01959 3/20 0.35
▸ HTT P42858 1/20 0.33
▸ PRCP P42785 1/20 0.33
▸ HTR2C P28335 2/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ IDO1 P14902 1/20 0.31
▸ HTR2A P28223 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
SCHEMBL12705519 1.00 CNR2 (0.37) CNR2NPC1L3MBTL1SLC6A2SLC6A4
SCHEMBL12705523 1.00 CNR2 (0.37) CNR2NPC1L3MBTL1SLC6A2SLC6A4
SCHEMBL10560526 0.84 PRCP (0.41) NPC1L3MBTL1PRCPHTR2CKDM4E
SCHEMBL172877 0.75 SLC6A2 (0.38) CNR2SLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL12751050 0.75 PRCP (0.39) NPC1L3MBTL1PRCPMEN1KMT2A
SCHEMBL12705453 0.75 PRCP (0.39) NPC1L3MBTL1PRCPMEN1KMT2A
SCHEMBL11592473 0.73 SLC6A2 (0.60) CNR2SLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL30998353 0.73 SLC6A2 (0.60) CNR2SLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL11592475 0.73 SLC6A2 (0.60) CNR2SLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL11592479 0.73 SLC6A2 (0.60) CNR2SLC6A2SLC6A4SLC6A3HTR2C

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-7902187-B2 6-substituted 2-(benzimidazolyl)purine and purinone derivatives for immunosuppression WYETH LLC (US) 2011-03-08 — — US disclosed
US-20090069289-A1 6-SUBSTITUTED 2-(BENZIMIDAZOLYL)PURINE AND PURINONE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2009-03-12 — — 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-20090069289-A1 6-SUBSTITUTED 2-(BENZIMIDAZOLYL)PURINE AND PURINONE DERIVATIVES FOR IMMUNOSUPPRESSION P2RY6, P2RY1, P2RX6 CNR2 118/4885NPC1 2782/4885L3MBTL1 4283/4885

“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.

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