SCHEMBL21189571

SCHEMBL21189571

COc1ccc(Br)cc1C(=O)N1CC[C@H](O)C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.47
LRRK2 Q5S007 2/20 0.46
ACHE P22303 1/20 0.45
HTR4 Q13639 1/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
DRD4 P21917 3/20 0.44
DRD3 P35462 3/20 0.44
GFER P55789 1/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CCR5 P51681 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL30514816 1.00 DRD2 (0.47) DRD2LRRK2ACHEHTR4ALDH1A1
SCHEMBL30514833 1.00 DRD2 (0.47) DRD2LRRK2ACHEHTR4ALDH1A1
SCHEMBL10711348 0.83 HTT (0.56) ALDH1A1LMNAHTTSMN1; SMN2MEN1
SCHEMBL21177577 0.83 RAB9A (0.43) ALDH1A1
SCHEMBL21177607 0.83 RAB9A (0.43) ALDH1A1
SCHEMBL21813217 0.81 L3MBTL3 (0.52) DRD2LRRK2ACHEHTR4ALDH1A1
SCHEMBL17502635 0.81 KMT2A (0.65) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL30514818 0.80 SMN1; SMN2 (0.54) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL21179375 0.80 SMN1; SMN2 (0.54) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL21179377 0.80 SMN1; SMN2 (0.54) ALDH1A1LMNASMN1; SMN2MEN1KMT2A

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-11649238-B2 Substituted pyrazolo[1,5-a]pyrimidines as PI4K inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-05-16 US disclosed
US-11649238-B2 Substituted pyrazolo[1,5-a]pyrimidines as PI4K inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-05-16 US disclosed
US-20230124394-A1 PI4KIIIBETA INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-04-20 US disclosed
US-20210387988-A1 PI4KIIIbeta Inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-12-16 US disclosed
WO-2019141694-A1 PI4KIIIBETA INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-07-25 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 (3 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-20230124394-A1 PI4KIIIBETA INHIBITORS PI4KB, PI4K2B, PI4K2A DRD2 4832/4885LRRK2 795/4885ACHE 4270/4885
US-11649238-B2 Substituted pyrazolo[1,5-a]pyrimidines as PI4K inhibitors PI4K2A, PI4K2B, PI4KA DRD2 4490/4885LRRK2 1477/4885ACHE 3688/4885
US-20210387988-A1 PI4KIIIbeta Inhibitors PI4KB, PI4K2B, PI4K2A DRD2 4827/4885LRRK2 861/4885ACHE 4216/4885

“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.