SCHEMBL6803154

SCHEMBL6803154

COc1ccc2[nH]c(CCN)cc2c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.77
HRH3 Q9Y5N1 3/20 0.62
MTNR1A P48039 3/20 0.60
MTNR1B P49286 2/20 0.60
AXL P30530 1/20 0.56
HTR1D P28221 2/20 0.52
HTR6 P50406 2/20 0.52
CA2 P00918 1/20 0.51
MAPT P10636 2/20 0.50
HTR2A P28223 2/20 0.50
PDGFRB P09619 1/20 0.50
PDGFRA P16234 1/20 0.50
CYP1A2 P05177 1/20 0.50
HTR1A P08908 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
HTR1B P28222 1/20 0.50
HTR2C P28335 1/20 0.50
HTR7 P34969 1/20 0.50
HTR4 Q13639 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
SCHEMBL3507809 0.87 LOXL2 (1.00) LOXL2HRH3MTNR1AMTNR1BAXL
SCHEMBL867547 0.86 LOXL2 (0.75) LOXL2HRH3MTNR1AMTNR1BAXL
SCHEMBL7952644 0.85 LOXL2 (0.69) LOXL2HRH3MTNR1AMTNR1BAXL
SCHEMBL28379600 0.84 LOXL2 (0.67) LOXL2HRH3MTNR1AMTNR1BAXL
SCHEMBL2157095 0.81 LOXL2 (0.73) LOXL2HRH3MTNR1AMTNR1BAXL
SCHEMBL16756016 0.81 MTNR1A (0.66) LOXL2HRH3MTNR1AMTNR1BAXL
SCHEMBL4563834 0.81 LOXL2 (0.63) LOXL2HRH3MTNR1AMTNR1BAXL
SCHEMBL8946252 0.80 MTNR1A (0.67) LOXL2HRH3MTNR1AMTNR1BAXL
SCHEMBL11622077 0.80 LOXL2 (0.71) LOXL2HRH3MTNR1AMTNR1BAXL
SCHEMBL11160135 0.80 LOXL2 (0.71) LOXL2HRH3MTNR1AMTNR1BAXL

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-20040224960-A1 Pharmaceutical compositions and methods for their use AGOURON PHARMACEUTICALS, INC. 2004-11-11 US claimed
US-3930948-A ENZYMATIC METHOD FOR PRODUCING AROMATIC ETHYLAMINES AJINOMOTO CO., INC. (JA) 1976-01-06 US claimed
WO-2019238057-A1 APPLICATION OF FSO2N3 IN PREPARATION OF AZIDE 中国科学院上海有机化学研究所 2019-12-19 WO disclosed
US-20040224960-A1 Pharmaceutical compositions and methods for their use AGOURON PHARMACEUTICALS, INC. 2004-11-11 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-20040224960-A1 Pharmaceutical compositions and methods for their use CYP3A5, CYP3A7, CYP3A43 LOXL2 2476/4885HRH3 2325/4885MTNR1A 797/4885

“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.