SCHEMBL22645802

SCHEMBL22645802

C[C@H]1C[C@@H]2CC1C[C@H]2C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRR1 P24046 5/20 0.39
▸ GRM2 Q14416 2/20 0.33
▸ GABRR2 P28476 1/20 0.33
▸ PPP5C P53041 1/20 0.32
▸ SLC1A2 P43004 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ SLC1A1 P43005 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ GRM8 O00222 1/20 0.31
▸ GRM6 O15303 1/20 0.31
▸ APEX1 P27695 1/20 0.31
▸ GRM5 P41594 1/20 0.31
▸ PMP22 Q01453 1/20 0.31
▸ GRM1 Q13255 1/20 0.31
▸ GRM3 Q14832 1/20 0.31
▸ GRM4 Q14833 1/20 0.31
▸ KDM4E B2RXH2 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
SCHEMBL10214195 1.00 GABRR1 (0.39) GABRR1GRM2GABRR2PPP5CSLC1A2
SCHEMBL22656590 0.84 GABRR1 (0.50) GABRR1GRM2GABRR2SLC1A2LMNA
SCHEMBL27224128 0.84 GABRR1 (0.50) GABRR1GRM2GABRR2SLC1A2LMNA
SCHEMBL109579 0.84 GABRR1 (0.50) GABRR1GRM2GABRR2SLC1A2LMNA
SCHEMBL14338304 0.84 SLC1A2 (0.38) GABRR1GRM2GABRR2SLC1A2SLC1A1
Hydrochloric Acid SCHEMBL28992700 0.82 GABRR1 (0.48) GABRR1GRM2GABRR2SLC1A2LMNA
SCHEMBL13533362 0.79 EPHX1 (0.45) —
SCHEMBL13179065 0.77 CHRNB2 (0.39) ALDH1A1CYP2C9CYP2C19MEN1KMT2A
SCHEMBL22617335 0.74 CHRNB2 (0.41) GABRR1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL15440659 0.74 CHRNB2 (0.41) GABRR1CHRNB2CHRNB4CHRNA3CHRNA7

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-11274109-B2 Boronic acid derivatives MERCK PATENT GMBH (DE) 2022-03-15 — — US disclosed
US-20200354382-A1 Boronic Acid Derivatives MERCK PATENT GMBH (DE) 2020-11-12 — — 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 (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-11274109-B2 Boronic acid derivatives PSMB7, PSMA7, BRD7 GABRR1 1124/4885GRM2 3441/4885GABRR2 1377/4885
US-20200354382-A1 Boronic Acid Derivatives PSMB7, PSMA7, BRD7 GABRR1 1124/4885GRM2 3441/4885GABRR2 1377/4885

“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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