SCHEMBL5121712

SCHEMBL5121712

O=C(COCc1ccccc1)N1CC[C@@H]([C]2CCCC2)C1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 10/20 0.54
▸ ALDH1A1 P00352 5/20 0.52
▸ POLB P06746 1/20 0.52
▸ MAPT P10636 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ GAA P10253 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ NPC1 O15118 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ KMT2A Q03164 1/20 0.45

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
SCHEMBL5724695 0.82 GRM5 (0.59) GRM5ALDH1A1POLBRAB9ASMN1; SMN2
SCHEMBL5121718 0.81 GRM5 (0.55) GRM5ALDH1A1POLBRAB9ASMN1; SMN2
SCHEMBL10401484 0.81 ALDH1A1 (0.60) GRM5ALDH1A1POLBMAPTRAB9A
SCHEMBL6180675 0.81 GRM5 (0.55) GRM5ALDH1A1POLBRAB9ASMN1; SMN2
SCHEMBL15092591 0.81 GRM5 (0.58) GRM5ALDH1A1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL15092589 0.81 GRM5 (0.58) GRM5ALDH1A1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL13315137 0.78 GRM5 (0.73) GRM5ALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL4702196 0.78 GRM5 (0.64) GRM5ALDH1A1RAB9ASMN1; SMN2CYP2C19
SCHEMBL13316190 0.78 GRM5 (0.64) GRM5ALDH1A1MAPTRAB9AGAA
SCHEMBL4702193 0.78 GRM5 (0.64) GRM5ALDH1A1POLBRAB9ASMN1; SMN2

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-7465751-B2 1-substituted-3-pyrrolidine derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-12-16 — — US disclosed
US-20060194862-A1 1-Substituted-3-pyrrolidine derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2006-08-31 — — 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 (1 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-20060194862-A1 1-Substituted-3-pyrrolidine derivatives as muscarinic receptor antagonists CHRM3, CHRM1, CHRM5 GRM5 100/4885ALDH1A1 821/4885POLB 2285/4885

“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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