SCHEMBL2456471

SCHEMBL2456471

OCc1cccnc1N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 4/20 0.62
HTR3B O95264 4/20 0.62
HTR3A P46098 4/20 0.62
HTR3D Q70Z44 4/20 0.62
HTR3C Q8WXA8 4/20 0.62
HTR1A P08908 3/20 0.62
HTR2C P28335 2/20 0.62
HSD11B1 P28845 1/20 0.62
USP2 O75604 1/20 0.55
TP53 P04637 1/20 0.55
ALOX15 P16050 1/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
ALDH1A1 P00352 3/20 0.53
LMNA P02545 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL2455105 0.83 HTR3E (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL10964782 0.80 HSD11B1 (0.69) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL22597982 0.80 HTR3E (0.65) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7235226 0.80 HTR3E (0.61) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL10962800 0.79 HSD11B1 (0.67) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL681850 0.79 CYP1A2 (0.49) TP53NFKB1NFKB2RELAALDH1A1
SCHEMBL2454168 0.78 DRD4 (0.63) ALDH1A1KDM4EMAPTTDP1DRD4
SCHEMBL8486989 0.78 CHIA (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3063649 0.77 CYP2C19 (0.51) TP53NFKB1NFKB2RELAALDH1A1
SCHEMBL3198071 0.77 HTR3E (0.61) HTR3EHTR3BHTR3AHTR3DHTR3C

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
US-20110262352-A1 ARYL PIPERAZINE AND THEIR USE AS ALPHA2C ANTAGONISTS ORION CORPORATION (FI) 2011-10-27 US disclosed
EP-2364303-A1 ARYL PIPERAZINE AND THEIR USE AS ALPHA2C ANTAGONISTS Orion Corporation (FI) 2011-09-14 EP disclosed
WO-2010058060-A1 ARYL PIPERAZINE AND THEIR USE AS ALPHA2C ANTAGONISTS ORION CORPORATION (FI) 2010-05-27 WO disclosed
WO-2010059627-A1 POLAR QUINAZOLINES AS LIVER X RECEPTORS ( LXRS ) MODULATORS WYETH LLC (US) 2010-05-27 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-20110262352-A1 ARYL PIPERAZINE AND THEIR USE AS ALPHA2C ANTAGONISTS ADRA2C, ADRA2A, HTR2C HTR3E 157/4885HTR3B 113/4885HTR3A 92/4885

“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.