SCHEMBL5812841

SCHEMBL5812841

CC(C)Oc1ccccc1N1CCN(CCCN2C(=O)C3CC4OC4CC3C2=O)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 5/20 0.54
ADRA1B P35368 5/20 0.54
ADRA1D P25100 4/20 0.54
DRD2 P14416 6/20 0.53
DRD3 P35462 2/20 0.53
HTR1A P08908 4/20 0.52
HTR7 P34969 3/20 0.52
HTR2A P28223 2/20 0.52
HTR6 P50406 1/20 0.52
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
ALOX12 P18054 1/20 0.51
HIF1A Q16665 1/20 0.51
HSD17B10 Q99714 1/20 0.51
KDM4E B2RXH2 1/20 0.50
GLA P06280 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL6111676 0.93 ADRA1A (0.51) ADRA1AADRA1BADRA1DDRD2DRD3
Hydrochloric Acid SCHEMBL6111950 0.92 ADRA1A (0.50) ADRA1AADRA1BADRA1DDRD2DRD3
SCHEMBL6111575 0.91 ADRA1A (0.53) ADRA1AADRA1BADRA1DDRD2DRD3
SCHEMBL4527650 0.91 HTR1A (0.56) ADRA1AADRA1BADRA1DDRD2DRD3
SCHEMBL6111886 0.91 ADRA1A (0.55) ADRA1AADRA1BADRA1DDRD2DRD3
Hydrochloric Acid SCHEMBL6111858 0.91 ADRA1A (0.52) ADRA1AADRA1BADRA1DDRD2DRD3
Hydrochloric Acid SCHEMBL6111788 0.90 ADRA1A (0.54) ADRA1AADRA1BADRA1DDRD2DRD3
Hydrochloric Acid SCHEMBL5821964 0.90 DRD2 (0.56) ADRA1AADRA1BADRA1DDRD2DRD3
SCHEMBL6211200 0.89 DRD2 (0.55) ADRA1AADRA1BADRA1DDRD2DRD3
Hydrochloric Acid SCHEMBL6404518 0.88 DRD2 (0.54) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-20050228180-A1 Alpha, omega-dicarboximide derivatives as useful uro-selective a1a adrenoceptor blockers RANBAXY LABORATORIES LIMITED (IN) 2005-10-13 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-20050228180-A1 Alpha, omega-dicarboximide derivatives as useful uro-selective a1a adrenoceptor blockers ADRA1A, ADRB1, ADRA1B ADRA1A 1/4885ADRA1B 3/4885ADRA1D 6/4885

“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.