SCHEMBL25818091

SCHEMBL25818091

CN[C@H](C)Cn1ccc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.53
CCND1 P24385 4/20 0.53
MAPK1 P28482 2/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
ALDH1A1 P00352 2/20 0.46
AGER Q15109 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.45
HPGD P15428 1/20 0.45
NTSR1 P30989 1/20 0.44

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
SCHEMBL24026926 1.00 CDK4 (0.53) CDK4CCND1MAPK1TSHRSMN1; SMN2
SCHEMBL9572684 0.82 CDK4 (0.61) CDK4CCND1MAPK1TSHRSMN1; SMN2
SCHEMBL29611307 0.79 HTR2C (0.63) CDK4CCND1HTR2AHTR2C
SCHEMBL22930008 0.79 CDK4 (0.57) CDK4CCND1MAPK1TSHRSMN1; SMN2
SCHEMBL14527158 0.79 HTR2C (0.63) CDK4CCND1HTR2AHTR2C
SCHEMBL29612242 0.79 CDK4 (0.57) CDK4CCND1MAPK1TSHRSMN1; SMN2
SCHEMBL12605555 0.79 CDK4 (0.57) CDK4CCND1MAPK1TSHRSMN1; SMN2
SCHEMBL19760707 0.79 CDK4 (0.57) CDK4CCND1MAPK1TSHRSMN1; SMN2
SCHEMBL2212318 0.79 HTR2C (0.63) CDK4CCND1HTR2AHTR2C
SCHEMBL20912828 0.79 NR3C1 (0.46) CDK4CCND1MAPK1TSHRSMN1; SMN2

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-20230219969-A1 ISOTRYPTAMINE PSYCHOPLASTOGENS AND USES THEREOF DELIX THERAPEUTICS, INC. 2023-07-13 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-20230219969-A1 ISOTRYPTAMINE PSYCHOPLASTOGENS AND USES THEREOF GAP43, SLC18A2, PNMT CDK4 2526/4885CCND1 4199/4885MAPK1 2353/4885

“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.