SCHEMBL2456483

SCHEMBL2456483

COCc1ccccc1N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 5/20 0.58
DRD2 P14416 2/20 0.58
DRD3 P35462 2/20 0.58
MAPK1 P28482 1/20 0.53
SIGMAR1 Q99720 3/20 0.53
ALDH1A1 P00352 2/20 0.53
APOBEC3A P31941 1/20 0.53
APOBEC3G Q9HC16 1/20 0.53
KDM4E B2RXH2 1/20 0.51
PLA2G1B P04054 1/20 0.51
RAB9A P51151 1/20 0.51
ATG4B Q9Y4P1 1/20 0.51
HTR7 P34969 2/20 0.50
MC4R P32245 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
SCHEMBL12000243 0.84 DRD4 (0.64) DRD4DRD2DRD3SIGMAR1ALDH1A1
SCHEMBL14132945 0.81 DRD4 (0.59) DRD4DRD2DRD3SIGMAR1ALDH1A1
SCHEMBL29931970 0.80 DRD4 (0.59) DRD4DRD2DRD3SIGMAR1ALDH1A1
SCHEMBL7537231 0.80 DRD4 (0.59) DRD4DRD2DRD3SIGMAR1ALDH1A1
SCHEMBL2454168 0.80 DRD4 (0.63) DRD4DRD2DRD3SIGMAR1ALDH1A1
SCHEMBL23536367 0.80 DRD4 (0.59) DRD4DRD2DRD3SIGMAR1ALDH1A1
SCHEMBL2455105 0.80 HTR3E (0.58) DRD4MAPK1SIGMAR1ALDH1A1APOBEC3A
SCHEMBL22635909 0.80 NCF1 (0.58) DRD4DRD2DRD3MAPK1KDM4E
SCHEMBL415676 0.79 DRD4 (0.55) DRD4DRD2DRD3SIGMAR1ALDH1A1
SCHEMBL14094675 0.79 DRD4 (0.55) DRD4DRD2DRD3SIGMAR1ALDH1A1

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-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

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 DRD4 112/4885DRD2 16/4885DRD3 65/4885

“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.