SCHEMBL20110656

SCHEMBL20110656

Cc1ccc(C#CC(C)C)c(Cl)n1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.35
RAB9A P51151 1/20 0.35
CCR5 P51681 1/20 0.35
GRM5 P41594 6/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.30
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL20110653 0.79 GRM5 (0.36) CCR1RAB9ACCR5GRM5ALDH1A1
SCHEMBL18188462 0.78 CCR1 (0.35) CCR1RAB9ACCR5CYP1A2KDM4E
SCHEMBL18188241 0.77 ALDH1A1 (0.31) ALDH1A1
SCHEMBL18188224 0.76 MAT2A (0.32)
SCHEMBL20110657 0.73 GRM5 (0.51) RAB9AGRM5ALDH1A1CYP1A2CYP2C9
SCHEMBL30242159 0.72 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL333768 0.72 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL14855312 0.72 CCR1 (0.36) CCR1RAB9ACCR5GRM5ALDH1A1
SCHEMBL20110658 0.71 PGK1 (0.40) GRM5CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL18188239 0.70 GRM5 (0.49) CCR1RAB9ACCR5GRM5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230110576-A1 AZABENZIMIDAZOLES AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-04-13 US disclosed
US-11312712-B2 Azabenzimidazoles and their use as AMPA receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2022-04-26 US disclosed
US-20180118740-A1 AZABENZIMIDAZOLES AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 US disclosed
US-20180118740-A1 AZABENZIMIDAZOLES AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 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-20180118740-A1 AZABENZIMIDAZOLES AND THEIR USE AS AMPA RECEPTOR MODULATORS GRIN1, GRIN2B, GRIN3A CCR1 3710/4885RAB9A 3789/4885CCR5 2272/4885
US-20230110576-A1 AZABENZIMIDAZOLES AND THEIR USE AS AMPA RECEPTOR MODULATORS GRIN1, GRIN2B, GRIN3A CCR1 3710/4885RAB9A 3789/4885CCR5 2272/4885
US-11312712-B2 Azabenzimidazoles and their use as AMPA receptor modulators GRIN1, GRIN2B, GRIN3A CCR1 3710/4885RAB9A 3789/4885CCR5 2272/4885

“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.