SCHEMBL20202025

SCHEMBL20202025

CN1c2ccccc2C2(c3ccccc31)c1cccc3c1N1c4c(cccc4Cc4cccc2c41)C3

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTR2A P28223 3/20 0.34
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
DRD4 P21917 1/20 0.33
DRD5 P21918 1/20 0.33
DRD3 P35462 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 4/20 0.33
MAPT P10636 4/20 0.33
LMNA P02545 3/20 0.33
HTT P42858 2/20 0.33
HCRTR1 O43613 1/20 0.33
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2C P28335 1/20 0.32

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
SCHEMBL20202030 0.97 TSHR (0.35) TSHRSMN1; SMN2HTR2ADRD2DRD1
SCHEMBL20202033 0.91 TSHR (0.36) TSHRSMN1; SMN2HTR2ADRD2DRD1
SCHEMBL20202031 0.85 MAPT (0.39) TSHRMEN1KMT2AKDM4EMAPT
SCHEMBL17014960 0.83 HTR2A (0.44) HTR2ADRD2DRD1DRD4DRD5
SCHEMBL20202032 0.80 MAPT (0.38) TSHRMEN1KMT2AKDM4EMAPT
SCHEMBL17084399 0.77 SMN1; SMN2 (0.37) TSHRSMN1; SMN2HTR2AMEN1KMT2A
SCHEMBL13244712 0.71 TSHR (0.43) TSHRHTR2ADRD2DRD1DRD4
SCHEMBL23056710 0.70 HTT (0.49) TSHRMEN1KMT2AKDM4EMAPT
SCHEMBL11990876 0.70 MAPT (0.41) TSHRSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL17951855 0.69 HPGD (0.48) TSHRHTR2ADRD2DRD1DRD4

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-20180148462-A1 POLYCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-05-31 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-20180148462-A1 POLYCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME PKD1, ODC1, PIEZO1 TSHR 4336/4885SMN1; SMN2 4515/4885HTR2A 4241/4885

“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.