SCHEMBL4527650

SCHEMBL4527650

CC(C)Oc1ccccc1N1CCN(CCCN2C(=O)C3CC(O)C(O)CC3C2=O)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.56
DRD2 P14416 5/20 0.56
HTR2A P28223 2/20 0.56
ADRA1A P35348 5/20 0.55
ADRA1B P35368 5/20 0.55
ADRA1D P25100 4/20 0.55
DRD3 P35462 3/20 0.54
HTR7 P34969 3/20 0.53
HTR6 P50406 1/20 0.53
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
ALOX12 P18054 1/20 0.52
HIF1A Q16665 1/20 0.52
HSD17B10 Q99714 1/20 0.52
KDM4E B2RXH2 1/20 0.51
GLA P06280 1/20 0.51
HPGD P15428 1/20 0.51

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 SCHEMBL5821964 0.99 DRD2 (0.56) HTR1ADRD2HTR2AADRA1AADRA1B
SCHEMBL4515957 0.94 DRD2 (0.52) HTR1ADRD2HTR2AADRA1AADRA1B
Hydrochloric Acid SCHEMBL6214247 0.93 HTR1A (0.51) HTR1ADRD2HTR2AADRA1AADRA1B
Hydrochloric Acid SCHEMBL4532902 0.93 DRD2 (0.51) HTR1ADRD2HTR2AADRA1AADRA1B
SCHEMBL6111886 0.92 ADRA1A (0.55) HTR1ADRD2HTR2AADRA1AADRA1B
SCHEMBL6211445 0.91 DRD2 (0.52) HTR1ADRD2HTR2AADRA1AADRA1B
Phosphoric Acid SCHEMBL5327878 0.91 HTR1A (0.49) HTR1ADRD2HTR2AADRA1AADRA1B
Hydrochloric Acid SCHEMBL6111788 0.91 ADRA1A (0.54) HTR1ADRD2HTR2AADRA1AADRA1B
SCHEMBL5812841 0.91 ADRA1A (0.54) HTR1ADRD2HTR2AADRA1AADRA1B
Hydrochloric Acid SCHEMBL6214323 0.90 DRD2 (0.51) HTR1ADRD2HTR2AADRA1AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1746998-A1 COMBINATION THERAPY FOR LOWER URINARY TRACT SYMPTOMS RANBAXY LABORATORIES, LTD. (IN) 2007-01-31 EP 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
US-20050228180-A1 Alpha, omega-dicarboximide derivatives as useful uro-selective a1a adrenoceptor blockers RANBAXY LABORATORIES LIMITED (IN) 2005-10-13 US claimed
WO-2005092341-A1 COMBINATION THERAPY FOR LOWER URINARY TRACT SYMPTOMS RANBAXY LABORATORIES LIMITED (IN) 2005-10-06 WO claimed
US-20090312344-A1 ARYLPIPERAZINE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-12-17 US disclosed
EP-1758583-A2 ARYLPIPERAZINE DERIVATIVES USEFUL AS ADRENERGIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2007-03-07 EP 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-2006051374-A2 ARYLPIPERAZINES USEFUL AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-05-18 WO disclosed
WO-2005118537-A2 ARYLPIPERAZINE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2005-12-15 WO disclosed
US-20050228180-A1 Alpha, omega-dicarboximide derivatives as useful uro-selective a1a adrenoceptor blockers RANBAXY LABORATORIES LIMITED (IN) 2005-10-13 US disclosed
EP-1495000-A4 ALPHA, OMEGA-DICARBOXIMIDE DERIVATIVES AS USEFUL URO-SELECTIVE A1A ADRENOCEPTOR BLOCKERS RANBAXY LAB LTD (IN) 2005-10-05 EP 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

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-20090312344-A1 ARYLPIPERAZINE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS ADRA1D, ADRB1, ADRA1A HTR1A 16/4885DRD2 182/4885HTR2A 22/4885
US-20050228180-A1 Alpha, omega-dicarboximide derivatives as useful uro-selective a1a adrenoceptor blockers ADRA1A, ADRB1, ADRA1B HTR1A 54/4885DRD2 271/4885HTR2A 214/4885

“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.