SCHEMBL4521365

SCHEMBL4521365

COc1ccccc1N1CCN(CC(O)CN2C(=O)C=C(C)C2=O)CC1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.64
HTR7 P34969 10/20 0.64
DRD2 P14416 9/20 0.64
RECQL P46063 1/20 0.61
HTR6 P50406 2/20 0.57
ADRA1B P35368 1/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPT P10636 1/20 0.56

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
SCHEMBL4516528 0.86 HTR1A (0.48) HTR1AHTR7DRD2RECQLHTR6
SCHEMBL6234661 0.81 HTR1A (0.67) HTR1AHTR7DRD2RECQLHTR6
SCHEMBL4531926 0.81 DRD2 (0.75) HTR1AHTR7DRD2HTR6ADRA1B
SCHEMBL6213851 0.81 HTR1A (0.64) HTR1AHTR7DRD2RECQLHTR6
Hydrochloric Acid SCHEMBL6408516 0.80 HTR1A (0.63) HTR1AHTR7DRD2RECQLHTR6
SCHEMBL3084103 0.80 HTR1A (0.69) HTR1AHTR7DRD2RECQLADRA1B
SCHEMBL31348160 0.80 HTR1A (0.69) HTR1AHTR7DRD2RECQLADRA1B
SCHEMBL4520739 0.79 HTR1A (0.64) HTR1AHTR7DRD2RECQLHTR6
Hydrochloric Acid SCHEMBL4521928 0.78 HTR1A (0.63) HTR1AHTR7DRD2RECQLHTR6
SCHEMBL13875130 0.78 RECQL (0.73) HTR1AHTR7DRD2RECQLADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2005118537-A2 ARYLPIPERAZINE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2005-12-15 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-20090312344-A1 ARYLPIPERAZINE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS ADRA1D, ADRB1, ADRA1A HTR1A 16/4885HTR7 125/4885DRD2 182/4885

“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.