SCHEMBL30997646

SCHEMBL30997646

CN1CCC2(CC1)CCN(Nc1ccccc1)CC2

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.41
DRD4 P21917 1/20 0.41
OPRM1 P35372 1/20 0.41
CYP2C19 P33261 2/20 0.40
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 3/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2D6 P10635 2/20 0.38
MAPK1 P28482 2/20 0.36
CHRNA7 P36544 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL30997647 1.00 TSHR (0.49) TSHRSMN1; SMN2DRD4OPRM1CYP2C19
SCHEMBL1399548 0.83 SMN1; SMN2 (0.56) SMN1; SMN2OPRM1CYP2C19KDM4ECYP2D6
SCHEMBL27792254 0.79 TSHR (0.34) TSHRSMN1; SMN2DRD4OPRM1CYP2C19
SCHEMBL4055295 0.76 ALDH1A1 (0.43) TSHRSMN1; SMN2CYP2C19CYP3A4CYP1A2
SCHEMBL31055020 0.76 CYP1A2 (0.34) TSHRSMN1; SMN2CYP1A2CYP2D6MAPK1
SCHEMBL29932100 0.74 ATM (0.42) TSHRCYP2C19CYP3A4CYP1A2MAPK1
SCHEMBL1752645 0.72 KDM1A (0.50) TSHRCYP2C19KDM4ECYP3A4CYP1A2
SCHEMBL1829575 0.72 KDM1A (0.46) TSHRSMN1; SMN2CYP2C19CYP3A4CYP1A2
SCHEMBL30730934 0.71 ACHE (0.42) SMN1; SMN2KDM4E
SCHEMBL12908060 0.70 ALDH1A1 (0.63) TSHRSMN1; SMN2CYP2C19CYP3A4CYP1A2

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 TSHR 4264/4885SMN1; SMN2 4134/4885DRD4 4856/4885

“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.