SCHEMBL24780657

SCHEMBL24780657

CC(C)[C@@H]1CN(C(C)C)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.46
SLC6A4 P31645 3/20 0.46
NOTUM Q6P988 1/20 0.34
OPRM1 P35372 4/20 0.33
OPRK1 P41145 4/20 0.33
HTR2A P28223 2/20 0.33
LMNA P02545 2/20 0.33
ACHE P22303 2/20 0.33
MEN1 O00255 2/20 0.33
TP53 P04637 2/20 0.33
CYP3A4 P08684 2/20 0.33
KMT2A Q03164 2/20 0.33
OPRL1 P41146 2/20 0.33
HTR1A P08908 2/20 0.33
HTR7 P34969 2/20 0.33
HTR2B P41595 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL13816287 1.00 SLC6A2 (0.46) SLC6A2SLC6A4NOTUMOPRM1OPRK1
SCHEMBL12128848 0.87 SLC6A4 (0.40) SLC6A2SLC6A4NOTUMOPRM1OPRK1
SCHEMBL24781203 0.83 SLC6A2 (0.38) SLC6A2SLC6A4NOTUMOPRM1OPRK1
SCHEMBL19047042 0.79 SLC6A2 (0.39) SLC6A2SLC6A4NOTUMOPRM1OPRK1
SCHEMBL16079966 0.79 SLC6A2 (0.39) SLC6A2SLC6A4NOTUMOPRM1OPRK1
SCHEMBL13823637 0.79 NOTUM (0.50) SLC6A2SLC6A4NOTUMOPRM1OPRK1
SCHEMBL19047039 0.79 SLC6A2 (0.39) SLC6A2SLC6A4NOTUMOPRM1OPRK1
SCHEMBL23057916 0.78 SLC6A2 (0.38) SLC6A2SLC6A4NOTUMOPRM1OPRK1
SCHEMBL19021473 0.78 SLC6A2 (0.38) SLC6A2SLC6A4NOTUMOPRM1OPRK1
SCHEMBL24780645 0.76 CYP3A4 (0.34) SLC6A2SLC6A4CYP3A4CYP2D6TSHR

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-20220402869-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-12-22 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-20220402869-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF TEAD1, TEAD4, TEAD2 SLC6A2 2277/4885SLC6A4 1621/4885NOTUM 4008/4885

“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.