SCHEMBL29310423

SCHEMBL29310423

COCc1cc(C)ccc1N1CCN(C)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.43
HTR3A P46098 2/20 0.43
MAPT P10636 3/20 0.42
USP2 O75604 1/20 0.42
THRB P10828 1/20 0.42
DRD2 P14416 5/20 0.41
DRD3 P35462 2/20 0.41
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
NCF1 P14598 1/20 0.40
ADRB2 P07550 1/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.40
RAD52 P43351 1/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTR7 P34969 3/20 0.39
HTR6 P50406 3/20 0.39
DRD4 P21917 1/20 0.39
HRH2 P25021 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
SCHEMBL22450644 0.83 MAPT (0.56) MAPTTHRBDRD2DRD3NCF1
SCHEMBL12072936 0.82 HTR1A (0.51) HTR1AHTR3AMAPTUSP2THRB
SCHEMBL13547748 0.81 ALDH1A1 (0.45) HTR1AHTR3AMAPTUSP2THRB
SCHEMBL5740977 0.81 HTR1A (0.44) HTR1AHTR3AMAPTUSP2THRB
SCHEMBL9988367 0.81 NCF1 (0.56) HTR1AHTR3AMAPTUSP2THRB
SCHEMBL29310081 0.81 DRD2 (0.42) HTR1AMAPTDRD2DRD3NCF1
SCHEMBL22635909 0.79 NCF1 (0.58) HTR1AMAPTDRD2DRD3HTR1D
SCHEMBL27372168 0.78 HTR1A (0.43) HTR1AHTR3AMAPTUSP2THRB
SCHEMBL24123988 0.77 ADRB2 (0.48) HTR1AHTR3AMAPTUSP2THRB
Hydrochloric Acid SCHEMBL9656301 0.76 HTR6 (0.49) HTR1AHTR3AMAPTKDM4EALDH1A1

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-20240228459-A1 WEE1 INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2024-07-11 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-20240228459-A1 WEE1 INHIBITORS AND USES THEREOF WEE1, WEE2, DCLRE1B HTR1A 4590/4885HTR3A 4388/4885MAPT 3813/4885

“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.