SCHEMBL17899403

SCHEMBL17899403

C[C@@H](O)c1ccc(C(N)=O)cc1Oc1ccc(N2CCC(OCCO)CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 4/20 0.37
PARP10 Q53GL7 4/20 0.37
HRH3 Q9Y5N1 2/20 0.37
GPR119 Q8TDV5 1/20 0.36
MAPT P10636 1/20 0.36
CHEK2 O96017 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
PARP1 P09874 1/20 0.35
DRD2 P14416 3/20 0.35
HTR1D P28221 3/20 0.35
HTR2A P28223 3/20 0.35
HTR1A P08908 2/20 0.35
DRD4 P21917 1/20 0.35
OPRM1 P35372 3/20 0.35
OPRD1 P41143 3/20 0.35
OPRK1 P41145 3/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35

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
SCHEMBL17899151 0.91 ACACB (0.36) PARP14PARP10MAPT
SCHEMBL21697492 0.86 PARP14 (0.39) PARP14PARP10HRH3GPR119MAPT
SCHEMBL17888639 0.85 PARP14 (0.38) PARP14PARP10HRH3GPR119MAPT
SCHEMBL17888520 0.83 GPR119 (0.40) PARP14PARP10HRH3GPR119MAPT
SCHEMBL17899367 0.81 MAPT (0.48) MAPTCHEK2
SCHEMBL17899389 0.81 MAPK1 (0.37) PARP14PARP10MAPTPARP1DRD2
SCHEMBL17899128 0.79 PDE4D (0.37) PARP10HRH3
SCHEMBL17888594 0.79 PDE4D (0.37) PARP10HRH3
SCHEMBL17888597 0.79 PDE4D (0.37) PARP10HRH3
SCHEMBL17899391 0.79 PARP10 (0.38) PARP14PARP10MAPTCHEK2PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11013728-B2 Cyclin-dependent kinase 8 and/or 19 inhibitor KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2021-05-25 US disclosed
US-20210100783-A1 NOVEL CYCLIN-DEPENDENT KINASE 8 AND/OR 19 INHIBITOR KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2021-04-08 US disclosed
EP-3607944-A1 NOVEL CYCLIN-DEPENDENT KINASE 8 AND/OR 19 INHIBITOR Kyoto Pharmaceutical Industries, Ltd. (JP) 2020-02-12 EP disclosed
US-20160207883-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2016-07-21 US disclosed
US-20160207883-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2016-07-21 US disclosed
EP-3040329-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 2016-07-06 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 (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-20160207883-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF SOST, BMP2, ALPI PARP14 4384/4885PARP10 4022/4885HRH3 1137/4885
US-20210100783-A1 NOVEL CYCLIN-DEPENDENT KINASE 8 AND/OR 19 INHIBITOR CCNI, CDK9, CDK8 PARP14 1692/4885PARP10 1849/4885HRH3 4380/4885
US-11013728-B2 Cyclin-dependent kinase 8 and/or 19 inhibitor CCNI, CDK9, CDKN1A PARP14 1707/4885PARP10 1872/4885HRH3 4405/4885

“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.