SCHEMBL21795776

SCHEMBL21795776

O=C(O)N1CCC(C(O)c2ccc(Br)nc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.39
HMOX1 P09601 1/20 0.35
HTR2A P28223 3/20 0.35
CYP2D6 P10635 2/20 0.35
HTR2C P28335 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
STAT3 P40763 1/20 0.33
HTR7 P34969 1/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
RPS6KB1 P23443 2/20 0.33
IDO1 P14902 1/20 0.33
DHODH Q02127 1/20 0.33

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
SCHEMBL31508344 0.82 DHODH (0.34) CCR5HTR2AHTR2CHTR7RPS6KB1
SCHEMBL24021370 0.82 NPC1 (0.47) IDO1
SCHEMBL21795787 0.82 NPC1 (0.47) IDO1
SCHEMBL14335923 0.81 CCR5 (0.51) CCR5HTR2ACYP2D6HTR2CKDM4E
SCHEMBL22558863 0.81 EPHX2 (0.43) CYP3A4
SCHEMBL16632108 0.81 EPHX2 (0.43) CYP3A4
SCHEMBL28563087 0.77 CCR5 (0.32) CCR5HMOX1
SCHEMBL4566750 0.76 HTR2A (0.55) HTR2ACYP2D6HTR2CKDM4ECYP1A2
SCHEMBL6229667 0.76 HTR2A (0.56) HTR2ACYP2D6HTR2CKDM4ECYP1A2
SCHEMBL15536002 0.76 FPR2 (0.47) HTR2ACYP2D6HTR2CKDM4ECYP1A2

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-11179391-B2 Compound with kinase inhibitory activity and preparation method and use thereof Zhang, Fuyao (CN) 2021-11-23 US disclosed
EP-3620456-B1 COMPOUND WITH KINASE INHIBITORY ACTIVITY AND PREPARATION METHOD AND USE THEREOF ZHANG FUYAO (CN) 2021-11-17 EP disclosed
CN-108794452-B Compound with kinase inhibition activity, preparation method and application thereof 上海时莱生物技术有限公司 2021-05-28 CN disclosed
US-20200155550-A1 COMPOUND WITH KINASE INHIBITORY ACTIVITY AND PREPARATION METHOD AND USE THEREOF SHANGHAI BEST-LINK BIOSCIENCE, LLC (CN) 2020-05-21 US disclosed
EP-3620456-A1 COMPOUND WITH KINASE INHIBITORY ACTIVITY AND PREPARATION METHOD AND USE THEREOF Selection Bioscience LLC (CN) 2020-03-11 EP 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-20200155550-A1 COMPOUND WITH KINASE INHIBITORY ACTIVITY AND PREPARATION METHOD AND USE THEREOF CDK9, CDK7, CDK6 CCR5 2964/4885HMOX1 4556/4885HTR2A 4665/4885
US-11179391-B2 Compound with kinase inhibitory activity and preparation method and use thereof CDK9, CDK7, CDK6 CCR5 2964/4885HMOX1 4556/4885HTR2A 4665/4885

“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.