SCHEMBL6502219

SCHEMBL6502219

C#CCN1CCCCCC1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.55
CHRM5 P08912 4/20 0.55
CHRM1 P11229 4/20 0.55
CHRM3 P20309 4/20 0.55
CHRM4 P08173 2/20 0.55
CYP2D6 P10635 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
APEX1 P27695 2/20 0.46
PMP22 Q01453 2/20 0.46
TSHR P16473 1/20 0.46
ALOX12 P18054 1/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46
BLM P54132 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL2705010 0.98 CHRM2 (0.56) CHRM2CHRM5CHRM1CHRM3CHRM4
SCHEMBL1244165 0.92
SCHEMBL28729222 0.82 CHRM2 (0.56) CHRM2CHRM5CHRM1CHRM3CHRM4
SCHEMBL3922973 0.79 CHRM2 (0.58) CHRM2CHRM5CHRM1CHRM3CHRM4
SCHEMBL9057404 0.79 CHRM2 (0.58) CHRM2CHRM5CHRM1CHRM3CHRM4
SCHEMBL11727343 0.77 CHRM2 (0.89) CHRM2CHRM5CHRM1CHRM3CHRM4
SCHEMBL11721410 0.77 CHRM2 (0.89) CHRM2CHRM5CHRM1CHRM3CHRM4
SCHEMBL3834112 0.76 KMT2A (0.60) CHRM2CHRM5CHRM1CHRM3CHRM4
SCHEMBL11726121 0.74 CHRM2 (0.93) CHRM2CHRM5CHRM1CHRM3CHRM4
SCHEMBL11725498 0.73 CHRM2 (0.96) CHRM2CHRM5CHRM1CHRM3CHRM4

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
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-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
EP-1025085-A1 HETEROCYCLES USEFUL IN THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA AND INTERMEDIATES THEREOF Ortho-McNeil Pharmaceutical, Inc. (US) 2000-08-09 EP disclosed
WO-1999019299-A1 HETEROCYCLES USEFUL IN THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA AND INTERMEDIATES THEREOF ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 1999-04-22 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-20020165219-A1 Novel heterocycles useful in the treatment of benign prostatic hyperplasia ADRA1A, ADRB1, ADRA1D CHRM2 574/4885CHRM5 754/4885CHRM1 224/4885

“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.