SCHEMBL22050474

SCHEMBL22050474

CC(C)(C)OC(=O)N1CCC(c2ccc(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.64
▸ GPR119 Q8TDV5 4/20 0.59
▸ USP30 Q70CQ3 2/20 0.58
▸ PTPN2 P17706 1/20 0.57
▸ PTPN1 P18031 1/20 0.57
▸ PTPN6 P29350 1/20 0.57
▸ P2RY14 Q15391 1/20 0.56
▸ HPGDS O60760 2/20 0.55
▸ KDM4E B2RXH2 2/20 0.53
▸ PKM P14618 1/20 0.53
▸ THRB P10828 2/20 0.51
▸ MAPT P10636 1/20 0.51
▸ JAK2 O60674 1/20 0.50
▸ JAK3 P52333 1/20 0.50
▸ PTK2 Q05397 1/20 0.50
▸ STS P08842 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL22051946 1.00 NAMPT (0.64) NAMPTGPR119USP30PTPN2PTPN1
SCHEMBL3843148 0.92 NAMPT (0.66) NAMPTGPR119PTPN2PTPN1PTPN6
Acetic Acid SCHEMBL29880486 0.89 NAMPT (0.63) NAMPTGPR119HPGDSKDM4EPKM
SCHEMBL12354143 0.88 GPR119 (0.55) NAMPTGPR119USP30PTPN2PTPN1
SCHEMBL29386809 0.88 GPR119 (0.55) NAMPTGPR119USP30PTPN2PTPN1
Dimethylamine SCHEMBL6608623 0.88 NAMPT (0.65) NAMPTGPR119PTPN2PTPN1PTPN6
SCHEMBL31616130 0.87 NAMPT (0.61) NAMPTGPR119USP30HPGDSKDM4E
SCHEMBL22944633 0.86 USP30 (0.59) NAMPTGPR119USP30PTPN2PTPN1
Trifluoroacetic Acid SCHEMBL29880449 0.85 NAMPT (0.60) NAMPTGPR119P2RY14HPGDSKDM4E
SCHEMBL226854 0.85 NAMPT (0.59) NAMPTGPR119PTPN2PTPN1PTPN6

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-20220017486-A1 DOCK1-INHIBITING COMPOUND AND USE THEREOF KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2022-01-20 — — US disclosed
EP-3888651-A1 DOCK1-INHIBITING COMPOUND AND USE THEREOF Kyushu University, National University Corporation (JP) 2021-10-06 — — EP disclosed
WO-2020111252-A1 DOCK1-INHIBITING COMPOUND AND USE THEREOF 国立大学法人九州大学 2020-06-04 — — 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 (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-20220017486-A1 DOCK1-INHIBITING COMPOUND AND USE THEREOF DOCK2, DOCK11, DOCK5 NAMPT 3258/4885GPR119 1422/4885USP30 3406/4885

“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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