SCHEMBL29310063

SCHEMBL29310063

COCc1cc(C(C)C)ccc1C1CCN(C)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
CYP2D6 P10635 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
THPO P40225 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR6 P50406 1/20 0.36
QDPR P09417 2/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
HTR1D P28221 3/20 0.34
HTR1B P28222 3/20 0.34
HTR1F P30939 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL24451796 0.84 HTR2A (0.40) ALDH1A1CYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL25691218 0.80 ALDH1A1 (0.48) ALDH1A1HTR2AHTR2CHTR6QDPR
SCHEMBL29310322 0.80 HTR1D (0.50) CYP2D6CYP1A2CYP3A4CYP2C9THPO
SCHEMBL17660611 0.78 HTR2A (0.40) CYP2D6CYP1A2CYP3A4CYP2C9THPO
SCHEMBL14924095 0.77 HTR2A (0.43) ALDH1A1CYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL11977022 0.77 TLR9 (0.44) HTR2AHTR2CHTR6QDPRCHRNB2
SCHEMBL29310081 0.76 DRD2 (0.42) ALDH1A1CYP2D6CYP3A4HTR2AHTR2C
SCHEMBL24123870 0.73 SLC9A1 (0.43) CYP2D6CYP3A4CYP2C9HTR2AHTR2C
SCHEMBL29310093 0.73 DRD2 (0.42) ALDH1A1CYP2D6CYP3A4HTR2AHTR2C
SCHEMBL20883813 0.72 HTR1D (0.38) HTR2CHTR6CHRNB2CHRNA4HTR1D

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 2 patents. 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
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 ALDH1A1 3226/4885CYP2D6 4055/4885CYP1A2 3966/4885

“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.