SCHEMBL5176069

SCHEMBL5176069

CCOc1ccccc1N1CCN(CCCN2C(=O)C3CCC(O)CC3C2=O)CC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.55
HTR7 P34969 7/20 0.55
DRD2 P14416 5/20 0.55
HTR6 P50406 4/20 0.55
HTR2A P28223 3/20 0.55
DRD3 P35462 2/20 0.51
PTGS2 P35354 1/20 0.51
ADRA1D P25100 3/20 0.50
ADRA1A P35348 3/20 0.50
ADRA1B P35368 3/20 0.50
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
ALOX12 P18054 1/20 0.48
KMT2A Q03164 1/20 0.48
HIF1A Q16665 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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 SCHEMBL6407537 0.99 HTR1A (0.55) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL4528941 0.90 DRD2 (0.64) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL6211876 0.90 HTR1A (0.59) HTR1AHTR7DRD2HTR6HTR2A
Hydrochloric Acid SCHEMBL4520908 0.89 DRD2 (0.63) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL5175286 0.88 ADRA1A (0.55) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL6211445 0.88 DRD2 (0.52) HTR1AHTR7DRD2HTR6HTR2A
Hydrochloric Acid SCHEMBL6213630 0.87 ADRA1A (0.54) HTR1AHTR7DRD2HTR6HTR2A
Hydrochloric Acid SCHEMBL6214323 0.87 DRD2 (0.51) HTR1AHTR7DRD2HTR6HTR2A
Phosphoric Acid SCHEMBL5422467 0.87 HTR1A (0.63) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL4522586 0.86 HTR1A (0.51) HTR1AHTR7DRD2HTR6HTR2A

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 9 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-2005092341-A1 COMBINATION THERAPY FOR LOWER URINARY TRACT SYMPTOMS RANBAXY LABORATORIES LIMITED (IN) 2005-10-06 WO claimed
EP-1495000-A4 ALPHA, OMEGA-DICARBOXIMIDE DERIVATIVES AS USEFUL URO-SELECTIVE A1A ADRENOCEPTOR BLOCKERS RANBAXY LAB LTD (IN) 2005-10-05 EP claimed
EP-1495000-A1 ALPHA, OMEGA-DICARBOXIMIDE DERIVATIVES AS USEFUL URO-SELECTIVE A1A ADRENOCEPTOR BLOCKERS RANBAXY LABORATORIES, LTD. (IN) 2005-01-12 EP claimed
WO-2003084928-A1 ALPHA, OMEGA-DICARBOXIMIDE DERIVATIVES AS USEFUL URO-SELECTIVE Α1Α ADRENOCEPTOR BLOCKERS RANBAXY LABORATORIES LIMITED (IN) 2003-10-16 WO claimed
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 (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 HTR1A 54/4885HTR7 802/4885DRD2 271/4885

“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.