SCHEMBL20201828

SCHEMBL20201828

CCc1ccc(C)c(OCC2CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.43
KEAP1 Q14145 2/20 0.40
NFE2L2 Q16236 2/20 0.40
PKM P14618 1/20 0.40
RIPK1 Q13546 1/20 0.40
BRD4 O60885 1/20 0.38
GRM2 Q14416 1/20 0.37
CNR2 P34972 1/20 0.37
HTR2C P28335 5/20 0.37
HTR2A P28223 3/20 0.37
HTR2B P41595 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
EP300 Q09472 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
HPGD P15428 1/20 0.36
KDM1A O60341 1/20 0.36

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
SCHEMBL22693816 0.87 PDE4B (0.43) PDE4BRIPK1BRD4HTR2CHTR2A
SCHEMBL12152968 0.85 PDE4B (0.42) PDE4BKEAP1NFE2L2RIPK1GRM2
SCHEMBL16727106 0.85 PDE4B (0.42) PDE4BKEAP1NFE2L2RIPK1GRM2
SCHEMBL16727107 0.85 PDE4B (0.42) PDE4BKEAP1NFE2L2RIPK1GRM2
SCHEMBL20204807 0.82 KDM4A (0.46) PDE4BRIPK1CNR2HTR2CHTR2B
SCHEMBL20208255 0.82 DUT (0.42) PDE4BRIPK1GRM2HTR2CHTR2A
SCHEMBL16662423 0.81 TSHR (0.47) KEAP1NFE2L2RIPK1HTR2BALDH1A1
SCHEMBL18374001 0.79 HTR2C (0.51) RIPK1BRD4GRM2HTR2CHTR2A
SCHEMBL18377484 0.79 PPARD (0.43) PDE4BRIPK1BRD4HTR2CHTR2A
SCHEMBL1439332 0.79 HSP90AA1 (0.47) PDE4BALDH1A1HPGD

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
WO-2018098206-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 US disclosed
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2010-10-21 US 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-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R PDE4B 2240/4885KEAP1 4530/4885NFE2L2 4197/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R PDE4B 1234/4885KEAP1 4344/4885NFE2L2 3888/4885

“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.