SCHEMBL6719487

SCHEMBL6719487

COc1ccc2c(c1)N(CCO)CCC2

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
RORC P51449 1/20 0.49
HRH3 Q9Y5N1 2/20 0.49
DRD1 P21728 6/20 0.48
DRD2 P14416 5/20 0.48
DRD5 P21918 5/20 0.48
DRD3 P35462 5/20 0.48
DRD4 P21917 4/20 0.48
HSD17B10 Q99714 1/20 0.46
CREBBP Q92793 8/20 0.45
BRD4 O60885 5/20 0.45
EP300 Q09472 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
SCHEMBL10092656 0.87 MEN1 (0.57) HDAC1HDAC6RORCHRH3DRD1
SCHEMBL28805650 0.86 HDAC1 (0.53) HDAC1HDAC6RORCHRH3DRD1
SCHEMBL8604886 0.84 HRH3 (0.62) HDAC1HDAC6RORCHRH3DRD1
SCHEMBL10490519 0.82 HRH3 (0.52) HDAC1HDAC6RORCHRH3DRD1
SCHEMBL8606442 0.82 HDAC1 (0.53) HDAC1HDAC6RORCHRH3DRD1
SCHEMBL1428735 0.81 RORC (0.51) HDAC1HDAC6RORCHRH3DRD1
SCHEMBL8302626 0.81 HDAC1 (0.54) HDAC1HDAC6RORCCREBBPBRD4
SCHEMBL11789019 0.81 ALDH1A1 (0.51) HDAC1HDAC6RORCHRH3HSD17B10
SCHEMBL1394587 0.80 RORC (0.50) HDAC1HDAC6RORCHRH3DRD1
SCHEMBL14986091 0.79 HRH3 (0.61) HDAC1HDAC6RORCHRH3DRD1

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-20040214832-A1 Piperazine derivative renin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-28 US disclosed
WO-2004089915-A1 PIPERAZINE DERIVATIVE RENIN INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 WO disclosed
US-5750409-A MARKERS FOR HAPTEN-ANTIBODY-PROTEIN CONJUGATES BOEHRINGER MANNHEIM GMBH (DE) 1998-05-12 US disclosed
EP-0567622-B1 NEW PENTACYCLIC COMPOUNDS AND THEIR USE AS ABSORPTION OR FLUORESCENCE DYES BOEHRINGER MANNHEIM GMBH (DE) 1996-04-24 EP disclosed
WO-1993010189-A1 NEW PENTACYCLIC COMPOUNDS AND THEIR USE AS ABSORPTION OR FLUORESCENCE DYES BOEHRINGER MANNHEIM GMBH (DE) 1993-05-27 WO disclosed
EP-0543333-A1 New pentacyclic compounds and their use as absorption or fluorescence dyestuffs Roche Diagnostics GmbH (DE) 1993-05-26 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 (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-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 HDAC1 593/4885HDAC6 1224/4885RORC 3817/4885

“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.