SCHEMBL1857526

SCHEMBL1857526

CN(C)CCOc1ccccc1Br

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 1.00
LMNA P02545 1/20 0.59
HTR1B P28222 2/20 0.59
DRD2 P14416 1/20 0.56
DRD1 P21728 1/20 0.56
DRD4 P21917 1/20 0.56
DRD5 P21918 1/20 0.56
CYP1A2 P05177 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP2D6 P10635 1/20 0.51
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
UTS2R Q9UKP6 1/20 0.50
ADRB2 P07550 1/20 0.49
ADRB1 P08588 1/20 0.49
LTA4H P09960 1/20 0.49
TAAR1 Q96RJ0 1/20 0.48
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL22837825 0.91 HTR7 (0.83) HTR7LMNAHTR1BCYP1A2CYP2C19
SCHEMBL20621345 0.81 HTR7 (0.69) HTR7LMNAHTR1BDRD2DRD1
SCHEMBL10798879 0.81 HTR7 (0.67) HTR7LMNACYP1A2CYP2C19KDM4E
SCHEMBL25388128 0.80 HTR7 (0.66) HTR7LMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL3888894 0.80 LMNA (0.86) HTR7LMNAHTR1BDRD2DRD1
SCHEMBL701534 0.79 HTR7 (0.64) HTR7LMNACYP1A2CYP2C19KDM4E
SCHEMBL2344935 0.79 HTR7 (0.64) HTR7LMNACYP1A2CYP2C19KDM4E
SCHEMBL14647148 0.79 HTR7 (0.65) HTR7HTR1BDRD2DRD1DRD4
SCHEMBL8352887 0.78 HTR7 (0.65) HTR7HTR1BDRD2DRD1DRD4
SCHEMBL2459518 0.78 HTR7 (0.65) HTR7HTR1BDRD2DRD1DRD4

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
WO-2013029338-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-03-07 WO disclosed
US-20110105608-A1 MODULATORS OF NUCLEAR RECEPTOR CO-REGULATORY PROTEIN BINDING NORTHEASTERN UNIVERSITY (US) 2011-05-05 US disclosed
WO-2009117739-A1 MODULATORS OF NUCLEAR RECEPTOR CO-REGULATORY PROTEIN BINDING NORTHEASTERN UNIVERSITY (US) 2009-09-24 WO disclosed
WO-1999002509-A1 PROCESS FOR PREPARING TRI-ARYL-ALKYLALKENES SMITHKLINE BEECHAM PLC (GB) 1999-01-21 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-20110105608-A1 MODULATORS OF NUCLEAR RECEPTOR CO-REGULATORY PROTEIN BINDING ESRRB, ESRRA, ESRRG HTR7 2704/4885LMNA 4071/4885HTR1B 3549/4885

“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.