SCHEMBL6494245

SCHEMBL6494245

CCn1cc(C(=O)O)nc1CBr

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.36
PTGS1 P23219 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 2/20 0.35
ABCC4 O15439 1/20 0.35
PKM P14618 1/20 0.35
BRD4 O60885 1/20 0.33
PTGS2 P35354 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
TSHR P16473 3/20 0.32
HIF1A Q16665 2/20 0.32
KDM4E B2RXH2 2/20 0.31
ALOX15 P16050 2/20 0.31
ACMSD Q8TDX5 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CASP1 P29466 2/20 0.31
ESR2 Q92731 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GFER P55789 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
SCHEMBL999335 0.75 PTGS1 (0.37) RXFP1PTGS1MEN1KMT2ALMNA
SCHEMBL1407852 0.75 PTGS1 (0.37) RXFP1PTGS1MEN1KMT2ALMNA
SCHEMBL25216352 0.72 L3MBTL1 (0.40) RXFP1PTGS1BRD4PTGS2HCAR2
SCHEMBL19069401 0.72 MEN1 (0.35) RXFP1PTGS1MEN1KMT2ALMNA
SCHEMBL28218206 0.71 CYP19A1 (0.37) RXFP1PTGS1MEN1KMT2ABRD4
SCHEMBL860536 0.71 ALDH1A1 (0.30) ALDH1A1
SCHEMBL16519369 0.69 PTGER1 (0.42) RXFP1PTGS1MEN1KMT2ABRD4
SCHEMBL29094923 0.68 HCAR2 (0.37) RXFP1PTGS1MEN1KMT2APTGS2
SCHEMBL4934202 0.68 HCAR2 (0.43) MEN1KMT2ALMNAPKMHCAR2
SCHEMBL21564316 0.67 HCAR2 (0.41) RXFP1PTGS1MEN1KMT2ALMNA

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-6841682-B2 Heterocycles useful in the treatment of benign prostatic hyperplasia JANSEEN PHARMACEUTICA N.V. (BE) 2005-01-11 US disclosed
EP-1273572-B1 Thiophene substituted piperazines useful in the treatment of benign prostatic hyperplasia ORTHO MCNEIL PHARM INC (US) 2004-12-15 EP disclosed
EP-1025085-B1 HETEROCYCLES USEFUL IN THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA AND INTERMEDIATES THEREOF ORTHO MCNEIL PHARM INC (US) 2003-03-26 EP disclosed
EP-1273572-A1 Thiophene substituted piperazines useful in the treatment of benign prostatic hyperplasia Ortho-McNeil Pharmaceutical, Inc. (US) 2003-01-08 EP disclosed
US-20020165219-A1 Novel heterocycles useful in the treatment of benign prostatic hyperplasia HUTCHINGS RICHARD H (US) 2002-11-07 US disclosed
US-6384035-B1 TREATING A DISEASE MEDIATED BY THE .ALPHA.-1.SUB.A ADRENERGIC RECEPTOR COMPRISING ADMINISTERING A COMPOUND ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-05-07 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-20020165219-A1 Novel heterocycles useful in the treatment of benign prostatic hyperplasia ADRA1A, ADRB1, ADRA1D RXFP1 138/4885PTGS1 45/4885MEN1 925/4885

“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.