SCHEMBL18615602

SCHEMBL18615602

N[C@H]1CC[C@H](Oc2ccnc(N3CCOCC3)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 4/20 0.47
▸ PIK3CA P42336 2/20 0.45
▸ PIK3CD O00329 1/20 0.45
▸ PIK3R1 P27986 1/20 0.45
▸ PIK3CB P42338 1/20 0.45
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ SYK P43405 3/20 0.41
▸ ACHE P22303 2/20 0.40
▸ MERTK Q12866 1/20 0.40
▸ CHRNA7 P36544 1/20 0.40
▸ DKK1 O94907 1/20 0.39
▸ EIF2AK2 P19525 1/20 0.39
▸ PRKCA P17252 1/20 0.39
▸ PRKCQ Q04759 1/20 0.39
▸ ACACB O00763 2/20 0.39

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
SCHEMBL20357455 1.00 LRRK2 (0.47) LRRK2PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL20357409 0.80 LRRK2 (0.44) LRRK2SYKACHEACACB
SCHEMBL30775324 0.80 SYK (0.48) LRRK2PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL18615426 0.77 HRH3 (0.48) LRRK2PIK3CAPIK3CDSYKACACB
SCHEMBL20357391 0.77 HRH3 (0.48) LRRK2PIK3CAPIK3CDSYKACACB
Hydrochloric Acid SCHEMBL20357392 0.76 HRH3 (0.47) LRRK2PIK3CAPIK3CDSYKACACB
Hydrochloric Acid SCHEMBL20357393 0.76 HRH3 (0.47) LRRK2PIK3CAPIK3CDSYKACACB
SCHEMBL18615747 0.76 CKS1B (0.43) LRRK2ACACB
SCHEMBL18616062 0.74 LRRK2 (0.59) LRRK2PIK3CASYK
SCHEMBL20357250 0.74 LRRK2 (0.59) LRRK2PIK3CASYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3345893-B1 UREA DERIVATIVE AND USE THEREFOR TORAY INDUSTRIES (JP) 2019-10-30 — — EP disclosed
EP-3345893-B1 UREA DERIVATIVE AND USE THEREFOR TORAY INDUSTRIES (JP) 2019-10-30 — — EP disclosed
US-10280145-B2 Urea derivative and use therefor TORAY INDUSTRIES, INC. (JP) 2019-05-07 — — US disclosed
US-10280145-B2 Urea derivative and use therefor TORAY INDUSTRIES, INC. (JP) 2019-05-07 — — US disclosed
US-20180237398-A1 UREA DERIVATIVE AND USE THEREFOR TORAY INDUSTRIES, INC. (JP) 2018-08-23 — — US disclosed
EP-3345893-A1 UREA DERIVATIVE AND USE THEREFOR Toray Industries, Inc. (JP) 2018-07-11 — — EP disclosed
EP-3345893-A1 UREA DERIVATIVE AND USE THEREFOR Toray Industries, Inc. (JP) 2018-07-11 — — EP disclosed
WO-2017038873-A1 UREA DERIVATIVE AND USE THEREFOR 東レ株式会社 2017-03-09 — — 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-10280145-B2 Urea derivative and use therefor UTS2R, DDR1, WEE1 LRRK2 268/4885PIK3CA 3069/4885PIK3CD 2858/4885
US-20180237398-A1 UREA DERIVATIVE AND USE THEREFOR UTS2R, DDR1, WEE1 LRRK2 268/4885PIK3CA 3069/4885PIK3CD 2858/4885

“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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