SCHEMBL23978876

SCHEMBL23978876

O=C(O)c1c(Cl)cc2c(c1Cl)CCN(CC1CC1)C2=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 5/20 0.41
▸ KCNH2 Q12809 3/20 0.34
▸ GRM2 Q14416 3/20 0.34
▸ AOC3 Q16853 2/20 0.32
▸ NOTUM Q6P988 1/20 0.32
▸ P2RX7 Q99572 2/20 0.31
▸ AADAT Q8N5Z0 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ CLPP Q16740 1/20 0.31
▸ ITGB3 P05106 1/20 0.31
▸ ITGA2B P08514 1/20 0.31
▸ TACR1 P25103 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
SCHEMBL30279447 1.00 GRM5 (0.41) GRM5KCNH2GRM2AOC3NOTUM
SCHEMBL23979012 0.89 GRM5 (0.38) GRM5KCNH2GRM2AOC3NOTUM
SCHEMBL23978879 0.87 GRM5 (0.37) GRM5KCNH2GRM2AOC3P2RX7
SCHEMBL23978787 0.86 GRM5 (0.36) GRM5KCNH2GRM2AOC3P2RX7
SCHEMBL30279399 0.86 GRM5 (0.36) GRM5KCNH2GRM2AOC3P2RX7
SCHEMBL23978788 0.83 GRM5 (0.36) GRM5KCNH2GRM2AOC3P2RX7
SCHEMBL23978794 0.81 — —
SCHEMBL23978727 0.81 DHPS (0.48) GRM5MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL30279428 0.81 DHPS (0.48) GRM5MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL10129824 0.80 SMN1; SMN2 (0.45) GRM5P2RX7MEN1ALDH1A1KMT2A

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-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-09 — — US disclosed
US-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-09 — — US disclosed
US-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-09 — — US disclosed
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-12-29 — — US disclosed
WO-2021222789-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-11-04 — — WO 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-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof ITGB1, ITGB2, ITGA2 GRM5 2800/4885KCNH2 2044/4885GRM2 1589/4885
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF ITGB1, ITGB2, ITGA2 GRM5 2800/4885KCNH2 2044/4885GRM2 1589/4885

“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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