SCHEMBL20006776

SCHEMBL20006776

Cc1cc(C(=O)N2CCC(C(C)C)CC2)n[nH]1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.49
KDM5A P29375 16/20 0.46
RAB9A P51151 1/20 0.46
KDM5B Q9UGL1 2/20 0.46
KDM5C P41229 1/20 0.46
DAO P14920 1/20 0.45
HCAR2 Q8TDS4 1/20 0.45

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
SCHEMBL17546291 0.84 HTR2A (0.52) HTR2AKDM5ARAB9ADAOHCAR2
SCHEMBL4423355 0.80 HTR2A (0.51) HTR2AKDM5ARAB9ADAOHCAR2
SCHEMBL21787536 0.78 HTR2A (0.57) HTR2AKDM5ARAB9ADAOHCAR2
SCHEMBL2603239 0.76 KMT2A (0.56) RAB9A
SCHEMBL12075886 0.75 KDM5A (0.45) KDM5AKDM5BKDM5C
SCHEMBL18161035 0.74 KDM5A (0.44) KDM5AKDM5BKDM5C
SCHEMBL17540512 0.72 KMT2A (0.47) KDM5ARAB9A
SCHEMBL13503786 0.72 ALDH1A1 (0.63)
SCHEMBL22874812 0.71 PIK3CD (0.51) KDM5A
SCHEMBL6261944 0.71 MAPT (0.58) HTR2A

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
EP-3428160-A1 HETEROBICYCLOARYL RORC2 INHIBITORS AND METHODS OF USE THEREOF Pfizer Inc (US) 2019-01-16 EP disclosed
EP-3027603-B1 HETEROBICYCLOARYL RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER (US) 2018-07-18 EP disclosed
US-20180086736-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2018-03-29 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 (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-20180086736-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA HTR2A 3883/4885KDM5A 2445/4885RAB9A 2480/4885

“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.