SCHEMBL4874588

SCHEMBL4874588

CC(C)Oc1ccccc1N1CCN(CCCN2C(=O)C3CC=CCC3C2=O)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 6/20 0.56
ADRA1B P35368 6/20 0.56
ADRA1D P25100 5/20 0.56
DRD2 P14416 4/20 0.55
DRD3 P35462 2/20 0.55
HTR1A P08908 5/20 0.54
HTR2A P28223 2/20 0.54
HTR7 P34969 3/20 0.53
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
ALOX12 P18054 1/20 0.53
HIF1A Q16665 1/20 0.53
HSD17B10 Q99714 1/20 0.53
KDM4E B2RXH2 1/20 0.52
GLA P06280 1/20 0.52
HPGD P15428 1/20 0.52
HTR6 P50406 1/20 0.52

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
Hydrochloric Acid SCHEMBL4869554 0.99 ADRA1A (0.55) ADRA1AADRA1BADRA1DDRD2DRD3
SCHEMBL5423788 0.98 HTR1A (0.57) ADRA1AADRA1BADRA1DDRD2DRD3
Hydrochloric Acid SCHEMBL5420310 0.97 DRD2 (0.56) ADRA1AADRA1BADRA1DDRD2DRD3
SCHEMBL6110726 0.89 ADRA1A (0.56) ADRA1AADRA1BADRA1DDRD2DRD3
SCHEMBL4527650 0.88 HTR1A (0.56) ADRA1AADRA1BADRA1DDRD2DRD3
SCHEMBL6212337 0.88 DRD2 (0.60) ADRA1AADRA1BADRA1DDRD2DRD3
SCHEMBL6111886 0.88 ADRA1A (0.55) ADRA1AADRA1BADRA1DDRD2DRD3
Hydrochloric Acid SCHEMBL6110922 0.88 ADRA1A (0.55) ADRA1AADRA1BADRA1DDRD2DRD3
SCHEMBL6240084 0.88 DRD2 (0.71) ADRA1AADRA1BADRA1DDRD2DRD3
SCHEMBL5421922 0.88 ADRA1A (0.49) ADRA1AADRA1BADRA1DDRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080167317-A1 Combination Therapy RANBAXY LABORATORIES LIMITED (IN) 2008-07-10 US claimed
WO-2006092710-A1 METABOLITES OF 2-{3-[4-(2-ISOPROPOXYPHENYL) PIPERAZIN-1-YL]-PROPYL}-3A,4,7,7A-TETRAHYDRO-1H-ISOINDOLE-1,3-(2H)-DIONE RANBAXY LABORATORIES LIMITED (IN) 2006-09-08 WO claimed
WO-2005092342-A1 COMBINATION THERAPY FOR LOWER URINARY TRACT SYMPTOMS RANBAXY LABORATORIES LIMITED (IN) 2005-10-06 WO claimed
US-6914064-B2 1,4-Disubstituted piperazine derivatives useful as uro-selective α1-adrenoceptor blockers RANBAXY LABORATORIES LIMITED (IN) 2005-07-05 US claimed
EP-1339682-A1 1,4-DISUBSTITUTED PIPERAZINE DERIVATIVES USEFUL AS URO-SELECTIVE $G(A)1-ADRENOCEPTOR BLOCKERS RANBAXY LABORATORIES, LTD. (IN) 2003-09-03 EP claimed
US-20020156085-A1 1,4-Disubstituted piperazine derivatives useful as uro-selective alpha1-adrenoceptor blockers RANBAXY LABORATORIES LIMITED (IN) 2002-10-24 US claimed
WO-2002044151-A1 1,4-DISUBSTITUTED PIPERAZINE DERIVATIVES USEFUL AS URO-SELECTIVE $G(A)1-ADRENOCEPTOR BLOCKERS RANBAXY LABORATORIES LIMITED (IN) 2002-06-06 WO claimed
US-20080167317-A1 Combination Therapy RANBAXY LABORATORIES LIMITED (IN) 2008-07-10 US disclosed
WO-2006092710-A1 METABOLITES OF 2-{3-[4-(2-ISOPROPOXYPHENYL) PIPERAZIN-1-YL]-PROPYL}-3A,4,7,7A-TETRAHYDRO-1H-ISOINDOLE-1,3-(2H)-DIONE RANBAXY LABORATORIES LIMITED (IN) 2006-09-08 WO disclosed
WO-2006092710-A1 METABOLITES OF 2-{3-[4-(2-ISOPROPOXYPHENYL) PIPERAZIN-1-YL]-PROPYL}-3A,4,7,7A-TETRAHYDRO-1H-ISOINDOLE-1,3-(2H)-DIONE RANBAXY LABORATORIES LIMITED (IN) 2006-09-08 WO disclosed
WO-2006092710-A1 METABOLITES OF 2-{3-[4-(2-ISOPROPOXYPHENYL) PIPERAZIN-1-YL]-PROPYL}-3A,4,7,7A-TETRAHYDRO-1H-ISOINDOLE-1,3-(2H)-DIONE RANBAXY LABORATORIES LIMITED (IN) 2006-09-08 WO disclosed
WO-2005092342-A1 COMBINATION THERAPY FOR LOWER URINARY TRACT SYMPTOMS RANBAXY LABORATORIES LIMITED (IN) 2005-10-06 WO disclosed
EP-1495000-A4 ALPHA, OMEGA-DICARBOXIMIDE DERIVATIVES AS USEFUL URO-SELECTIVE A1A ADRENOCEPTOR BLOCKERS RANBAXY LAB LTD (IN) 2005-10-05 EP disclosed
US-6914064-B2 1,4-Disubstituted piperazine derivatives useful as uro-selective α1-adrenoceptor blockers RANBAXY LABORATORIES LIMITED (IN) 2005-07-05 US disclosed
EP-1495000-A1 ALPHA, OMEGA-DICARBOXIMIDE DERIVATIVES AS USEFUL URO-SELECTIVE A1A ADRENOCEPTOR BLOCKERS RANBAXY LABORATORIES, LTD. (IN) 2005-01-12 EP disclosed
WO-2003084928-A1 ALPHA, OMEGA-DICARBOXIMIDE DERIVATIVES AS USEFUL URO-SELECTIVE Α1Α ADRENOCEPTOR BLOCKERS RANBAXY LABORATORIES LIMITED (IN) 2003-10-16 WO disclosed
US-20020156085-A1 1,4-Disubstituted piperazine derivatives useful as uro-selective alpha1-adrenoceptor blockers RANBAXY LABORATORIES LIMITED (IN) 2002-10-24 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-20020156085-A1 1,4-Disubstituted piperazine derivatives useful as uro-selective alpha1-adrenoceptor blockers ADRB1, ADRB2, ADRA1B ADRA1A 4/4885ADRA1B 3/4885ADRA1D 5/4885

“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.