SCHEMBL4892499

SCHEMBL4892499

c1ccc(C[C@H]2CCNC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.78
EED O75530 1/20 0.49
KDM1A O60341 1/20 0.47
MAOB P27338 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HRH4 Q9H3N8 3/20 0.46
HRH3 Q9Y5N1 3/20 0.46
POLB P06746 1/20 0.46
CCR3 P51677 1/20 0.46

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
SCHEMBL892689 1.00 GBA1 (0.78) GBA1EEDKDM1AMAOBSLC6A2
SCHEMBL4889591 1.00 GBA1 (0.78) GBA1EEDKDM1AMAOBSLC6A2
SCHEMBL31524060 0.89 GBA1 (0.62) GBA1EEDKDM1AMAOBHRH4
SCHEMBL1761058 0.89 EED (0.61) GBA1EEDSLC6A2SLC6A4SLC6A3
SCHEMBL3473180 0.89 EED (0.61) GBA1EEDSLC6A2SLC6A4SLC6A3
SCHEMBL8547993 0.89 EED (0.61) GBA1EEDSLC6A2SLC6A4SLC6A3
SCHEMBL9828599 0.88 GBA1 (0.64) GBA1EEDSLC6A2SLC6A4SLC6A3
SCHEMBL87612 0.88 GBA1 (1.00) GBA1SLC6A4POLBCCR3
SCHEMBL9598369 0.87 GBA1 (0.59) GBA1EEDSLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL3914926 0.87 EED (0.60) GBA1EEDSLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9611214-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-04-04 US disclosed
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS PFIZER INC. 2008-12-18 US disclosed
US-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS EFREMOV IVAN 2008-11-13 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-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS PAICS, TMBIM6, ABCG2 GBA1 69/4885EED 3404/4885KDM1A 3628/4885
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS AZI2, PAICS, UGT2B7 GBA1 184/4885EED 1102/4885KDM1A 2147/4885

“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.