SCHEMBL4886021

SCHEMBL4886021

CC(C)(C)OC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)C(F)C1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.53
RORC P51449 1/20 0.53
MAPT P10636 1/20 0.48
P2RY14 Q15391 1/20 0.47
GPR119 Q8TDV5 3/20 0.47
STS P08842 1/20 0.45
PDE4B Q07343 1/20 0.43
TGFBR1 P36897 1/20 0.43
MC4R P32245 1/20 0.43
USP30 Q70CQ3 2/20 0.43
HDAC4 P56524 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL4727085 0.88 TACR1 (0.53) TACR1RORCMAPTP2RY14GPR119
SCHEMBL16874572 0.88 RORC (0.46) TACR1RORCGPR119PDE4BUSP30
SCHEMBL19355948 0.88 RORC (0.46) TACR1RORCGPR119PDE4BUSP30
SCHEMBL16874709 0.88 RORC (0.46) TACR1RORCGPR119PDE4BUSP30
SCHEMBL16874574 0.88 RORC (0.46) TACR1RORCGPR119PDE4BUSP30
SCHEMBL528239 0.87 TACR1 (0.52) TACR1RORCMAPTP2RY14GPR119
SCHEMBL24832885 0.87 RORC (0.46) TACR1RORCMAPTGPR119PDE4B
SCHEMBL24494926 0.87 RORC (0.48) TACR1RORCGPR119PDE4BUSP30
SCHEMBL24494925 0.87 RORC (0.48) TACR1RORCGPR119PDE4BUSP30
SCHEMBL31341952 0.87 RORC (0.48) TACR1RORCGPR119PDE4BUSP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS PFIZER INC. 2008-12-18 US disclosed
US-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS EFREMOV IVAN 2008-11-13 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-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS PAICS, TMBIM6, ABCG2 TACR1 1595/4885RORC 1322/4885MAPT 2472/4885
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS AZI2, PAICS, UGT2B7 TACR1 1612/4885RORC 797/4885MAPT 3948/4885

“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.