SCHEMBL15099564

SCHEMBL15099564

Cc1ccc2c(c1)C(C)CN(C)CC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 10/20 0.47
HTR2A P28223 2/20 0.47
SLC6A2 P23975 3/20 0.47
SLC6A4 P31645 3/20 0.47
SLC6A3 Q01959 3/20 0.47
MAPK1 P28482 1/20 0.41
THPO P40225 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MTOR P42345 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DRD2 P14416 1/20 0.40
ACHE P22303 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
HTR1A P08908 1/20 0.39

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
SCHEMBL12914280 0.87 DRD1 (0.49) DRD1HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL3770992 0.82 DRD1 (0.68) DRD1HTR2AMAPK1THPOHIF1A
SCHEMBL2276907 0.82 DRD1 (0.68) DRD1HTR2AMAPK1THPOHIF1A
SCHEMBL1105045 0.82 DRD3 (0.54) DRD1HTR2ASLC6A2SLC6A4DRD2
SCHEMBL2202871 0.82 HTR2A (0.54) DRD1HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL1095494 0.82 DRD3 (0.54) DRD1HTR2ASLC6A2SLC6A4DRD2
SCHEMBL1095493 0.82 DRD3 (0.54) DRD1HTR2ASLC6A2SLC6A4DRD2
SCHEMBL2202254 0.82 DRD1 (0.46) DRD1HTR2AMAPK1THPOHIF1A
SCHEMBL12151317 0.80 DRD1 (0.58) DRD1HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL2200079 0.78 HTR2A (0.57) DRD1HTR2AMAPK1THPOHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130178619-A1 PROCESSES FOR THE PREPARATION OF 8-CHLORO-1-METHYL-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINE AND INTERMEDIATES RELATED THERETO ARENA PHARMACEUTICALS, INC. 2013-07-11 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-20130178619-A1 PROCESSES FOR THE PREPARATION OF 8-CHLORO-1-METHYL-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINE AND INTERMEDIATES RELATED THERETO HTR2C, HTR3C, HTR1A DRD1 208/4885HTR2A 12/4885SLC6A2 136/4885

“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.