SCHEMBL6528311

SCHEMBL6528311

CCOC(=O)CN1CCCCC1=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
GSK3B P49841 3/20 0.45
GSK3A P49840 2/20 0.45
LMNA P02545 3/20 0.44
ALDH1A1 P00352 2/20 0.44
PRKCA P17252 1/20 0.43
ELANE P08246 1/20 0.42
KMT2A Q03164 2/20 0.41
CYP2D6 P10635 1/20 0.41
HTT P42858 1/20 0.41
PIN1 Q13526 1/20 0.41
PIN4 Q9Y237 1/20 0.41
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL6495319 0.98 TSHR (0.49) TSHRADRA1DADRA1AADRA1BGSK3B
SCHEMBL668453 0.95 TSHR (0.56) TSHRADRA1DADRA1AADRA1BGSK3B
SCHEMBL9821162 0.93 TSHR (0.44) TSHRADRA1DADRA1AADRA1BGSK3B
SCHEMBL9821321 0.89 TSHR (0.50) TSHRADRA1DADRA1AADRA1BGSK3B
SCHEMBL3939476 0.89 TSHR (0.46) TSHRADRA1DADRA1AADRA1BGSK3B
SCHEMBL9708708 0.88 GSK3A (0.49) TSHRGSK3BGSK3ALMNAALDH1A1
SCHEMBL3936078 0.84 TSHR (0.51) TSHRADRA1DADRA1AADRA1BLMNA
SCHEMBL11512914 0.83 GAA (0.43) TSHRADRA1DADRA1AADRA1BLMNA
SCHEMBL5158837 0.83 TSHR (0.53) TSHRADRA1DADRA1AADRA1BLMNA
SCHEMBL11284225 0.83 ALDH1A1 (0.46) TSHRLMNAALDH1A1KMT2AMEN1

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 10 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-20020082421-A1 Novel solid salt forms of N-[2-[4-[2-(1- methylethoxy)phenyl]-1-piperazinyl]-2-oxo-1piperidineacetamide ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-06-27 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
WO-2002022582-A2 SOLID SALT FORMS OF N-[2-[4-[2-(1-METHYLETHOXY)PHENYL]-1-PIPERAZINYL]ETHYL]-2-OXO-1-PIPERIDINEACETAMIDE ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-03-21 WO 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
US-4080192-A POSTEMERGENCE AND PREEMERGENCE HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-03-21 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-20020082421-A1 Novel solid salt forms of N-[2-[4-[2-(1- methylethoxy)phenyl]-1-piperazinyl]-2-oxo-1piperidineacetamide NPPA, SCN2A, SLC28A2 TSHR 4450/4885ADRA1D 1058/4885ADRA1A 1124/4885
US-20020165219-A1 Novel heterocycles useful in the treatment of benign prostatic hyperplasia ADRA1A, ADRB1, ADRA1D TSHR 667/4885ADRA1D 3/4885ADRA1A 1/4885

“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.