SCHEMBL5766522

SCHEMBL5766522

Brc1ccccc1C=C1CCCCN1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.47
IKBKB O14920 1/20 0.44
DYRK2 Q92630 1/20 0.44
EGFR P00533 1/20 0.35
CYP26A1 O43174 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.34
ALPI P09923 1/20 0.34
CCR3 P51677 5/20 0.33
EP300 Q09472 1/20 0.33
CARM1 Q86X55 1/20 0.33
CYP27A1 Q02318 1/20 0.33
ATM Q13315 1/20 0.33
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL1891515 0.79 TP53 (0.41) CYP26A1KMT2AMEN1ALPIALDH1A1
SCHEMBL1891513 0.79 TP53 (0.41) CYP26A1KMT2AMEN1ALPIALDH1A1
SCHEMBL3855365 0.77 CYP26A1 (0.37) CYP26A1CCR3
SCHEMBL28377055 0.76 HSD11B1 (0.50) HSD11B1IKBKBDYRK2EGFRCYP26A1
SCHEMBL28211015 0.76 TNF (0.51) KMT2AMEN1CCR3
SCHEMBL28377057 0.76 HSD11B1 (0.50) HSD11B1IKBKBDYRK2EGFRCYP26A1
SCHEMBL2261719 0.74 CYP1A2 (0.41) KMT2AMEN1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL2258288 0.74 CYP1A2 (0.41) KMT2AMEN1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL27510746 0.74 TP53 (0.41) CYP26A1KMT2AMEN1ALPIALDH1A1
SCHEMBL11480321 0.73 CYP1A2 (0.40) KMT2AMEN1ALDH1A1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1659111-A2 Piperidine derivatives useful as ccr5 antagonists Schering Corporation (US) 2006-05-24 EP disclosed
EP-1175402-B1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS SCHERING CORP (US) 2005-07-20 EP disclosed
US-6602885-B2 Piperidine derivatives useful as CCR5 antagonists SCHERING CORPORATION 2003-08-05 US disclosed
US-20030004185-A1 Piperidine derivatives useful as CCR5 antagonists MERCK SHARP & DOHME CORP. 2003-01-02 US disclosed
US-6387930-B1 ANTIARTHRITIC AGENTS; ANTIALLERGENS; SKIN DISORDERS; INFLAMMATORY BOWEL DISORDERS SCHERING CORPORATION 2002-05-14 US disclosed
EP-1175402-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS SCHERING CORPORATION (US) 2002-01-30 EP disclosed
WO-2000066559-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS SCHERING CORPORATION (US) 2000-11-09 WO 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-20030004185-A1 Piperidine derivatives useful as CCR5 antagonists CCR5, CCR1, CCR2 HSD11B1 1172/4885IKBKB 1073/4885DYRK2 4261/4885

“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.