SCHEMBL23978787

SCHEMBL23978787

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ LMNA P02545 3/20 0.34
▸ PKM P14618 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ P2RX7 Q99572 1/20 0.33
▸ EZH2 Q15910 3/20 0.33
▸ FPR1 P21462 1/20 0.33
▸ AOC3 Q16853 2/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ GRM2 Q14416 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ MAPK1 P28482 1/20 0.32

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
SCHEMBL30279399 1.00 GRM5 (0.36) GRM5SMN1; SMN2MAPTLMNAPKM
SCHEMBL23978788 0.88 GRM5 (0.36) GRM5SMN1; SMN2ALDH1A1P2RX7EZH2
SCHEMBL23979012 0.87 GRM5 (0.38) GRM5SMN1; SMN2ALDH1A1P2RX7EZH2
SCHEMBL23978876 0.86 GRM5 (0.41) GRM5SMN1; SMN2ALDH1A1P2RX7AOC3
SCHEMBL30279447 0.86 GRM5 (0.41) GRM5SMN1; SMN2ALDH1A1P2RX7AOC3
SCHEMBL23978879 0.85 GRM5 (0.37) GRM5P2RX7EZH2AOC3KCNH2
SCHEMBL30279363 0.82 SMN1; SMN2 (0.32) SMN1; SMN2MAPTLMNAPKMALDH1A1
SCHEMBL23978802 0.82 SMN1; SMN2 (0.32) SMN1; SMN2MAPTLMNAPKMALDH1A1
SCHEMBL23978723 0.81 SMN1; SMN2 (0.52) GRM5SMN1; SMN2MAPTLMNAPKM
SCHEMBL10129825 0.81 ALDH1A1 (0.45) SMN1; SMN2MAPTLMNAPKMALDH1A1

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-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 2800/4885SMN1; SMN2 3098/4885MAPT 4656/4885
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF ITGB1, ITGB2, ITGA2 GRM5 2800/4885SMN1; SMN2 3098/4885MAPT 4656/4885

“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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