SCHEMBL1752197

SCHEMBL1752197

Cc1ccnc(N2CCC(=O)CC2=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.47
CCR5 P51681 1/20 0.47
CCR8 P51685 1/20 0.47
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
ALDH1A1 P00352 3/20 0.40
TSHR P16473 1/20 0.39
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL10275026 0.81 CCR1 (0.50) CCR1CCR5CCR8CYP3A4CYP2C9
SCHEMBL3782058 0.77 CCR1 (0.52) CCR1CCR5CCR8CYP3A4CYP2C9
SCHEMBL12859179 0.74 CYP3A4 (0.48) CCR1CCR5CCR8CYP3A4CYP2C9
SCHEMBL31036073 0.74 CYP3A4 (0.54) CCR1CCR5CCR8CYP3A4CYP2C9
SCHEMBL20909892 0.73 CCR1 (0.47) CCR1CCR5CCR8CYP3A4CYP2C9
SCHEMBL1750871 0.72 L3MBTL1 (0.56) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL18949715 0.69 GRIN2D (0.60) CCR1CCR5CCR8CYP3A4CYP2C9
SCHEMBL21348668 0.69 CYP3A4 (0.43) CCR1CCR5CCR8CYP3A4CYP2C9
SCHEMBL15344969 0.68 GRIN1 (0.48) CCR1CCR5CCR8CYP3A4CYP2C9
SCHEMBL29397106 0.68 CCR1 (1.00) CCR1CCR5CCR8GRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2123264-A1 Heterocyclic derivatives as abnormal cannabidiols agents for lowering intraocular pressure Allergan, Inc. (US) 2009-11-25 EP claimed
US-20110269715-A1 ABNORMAL CANNABIDIOLS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE ALLERGAN, INC. 2011-11-03 US disclosed
US-7968711-B2 Isoprenyl-3-methylcyclohex-2-enyl)benzene-1,3-diol, 2-(3,5-Difluorophenyl)-5-hydroxypyridazin-3-one, 4-Bromo-2-(2,5-dichlorophenyl)-5-hydroxypyridazin-3-one; glaucoma or ocular hypertension ALLERGAN, INC. (US) 2011-06-28 US disclosed
EP-2123264-A1 Heterocyclic derivatives as abnormal cannabidiols agents for lowering intraocular pressure Allergan, Inc. (US) 2009-11-25 EP disclosed
EP-2010165-A2 ABNORMAL CANNABIDIOLS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE Allergan, Inc. (US) 2009-01-07 EP disclosed
WO-2007127711-A2 ABNORMAL CANNABIDIOLS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE ALLERGAN, INC. (US) 2007-11-08 WO disclosed
US-20070249596-A1 ABNORMAL CANNABIDIOLS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE ALLERGAN, INC. 2007-10-25 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 (2 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-20070249596-A1 ABNORMAL CANNABIDIOLS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE CNR2, CNR1, PTGIR CCR1 3533/4885CCR5 1193/4885CCR8 3412/4885
US-20110269715-A1 ABNORMAL CANNABIDIOLS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE CNR2, CNR1, PTGIR CCR1 3533/4885CCR5 1193/4885CCR8 3412/4885

“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.