SCHEMBL7991732

SCHEMBL7991732

COc1ccccc1N1CCN(Cc2cccc(-c3ccccc3)c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 1.00
HTR7 P34969 5/20 0.82
POLB P06746 1/20 0.68
DRD2 P14416 4/20 0.65
DRD3 P35462 3/20 0.65
MAPK1 P28482 1/20 0.64
HTR1A P08908 1/20 0.63
HRH2 P25021 1/20 0.63
HRH1 P35367 1/20 0.63
ADRA1D P25100 1/20 0.62
ADRA1A P35348 1/20 0.62
ADRA1B P35368 1/20 0.62
KDM4E B2RXH2 2/20 0.61
LMNA P02545 1/20 0.61
HTT P42858 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
ALDH1A1 P00352 2/20 0.60
KMT2A Q03164 1/20 0.60

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
SCHEMBL12962319 0.95 DRD4 (0.91) DRD4HTR7POLBDRD2DRD3
Maleic Acid SCHEMBL7977396 0.91 DRD4 (0.83) DRD4HTR7POLBDRD2DRD3
Fumaric Acid SCHEMBL7977401 0.91 DRD4 (0.83) DRD4HTR7POLBDRD2DRD3
SCHEMBL15937972 0.90 HTR7 (1.00) DRD4HTR7POLBDRD2DRD3
SCHEMBL7991752 0.89 DRD4 (0.79) DRD4HTR7POLBDRD2DRD3
SCHEMBL9225440 0.88 MAPK1 (0.81) DRD4HTR7DRD2DRD3MAPK1
SCHEMBL15938315 0.88 DRD2 (0.79) DRD4HTR7DRD2DRD3HTR1A
SCHEMBL15937822 0.87 HTR7 (0.85) DRD4HTR7POLBDRD2DRD3
SCHEMBL15938266 0.86 HTR7 (0.83) DRD4HTR7POLBDRD2DRD3
SCHEMBL15938805 0.86 HTR7 (0.83) DRD4HTR7POLBDRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883796-B2 Biphenyl derivatives, pharmaceutical composition comprising the same, and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-11-11 US disclosed
US-20140228568-A1 BIPHENYL DERIVATIVES, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-08-14 US disclosed
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2010-01-14 US disclosed
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2010-01-14 US disclosed
US-6258813-B1 BIOLOGICAL RECEPTORS WITH TETRAHYDROPIPERIZINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT (DE) 2001-07-10 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 (2 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-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS HTR6, GAP43, HTR5A DRD4 301/4885HTR7 11/4885POLB 1896/4885
US-20140228568-A1 BIPHENYL DERIVATIVES, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND PREPARATION METHOD THEREOF HTR7, HTR6, HTR3B DRD4 210/4885HTR7 1/4885POLB 2005/4885

“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.