SCHEMBL15699472

SCHEMBL15699472

CCc1ccc(C[C@H](NC)C(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 3/20 0.42
▸ TAAR1 Q96RJ0 3/20 0.41
▸ SLC18A2 Q05940 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41
▸ ACACB O00763 1/20 0.39
▸ PLK1 P53350 1/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TP53 P04637 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
SCHEMBL30131242 0.82 SLC6A2 (0.53) SLC6A4TAAR1SLC18A2SIGMAR1ACACB
SCHEMBL13416485 0.81 SIGMAR1 (0.63) SLC6A4TAAR1SLC18A2SIGMAR1KMT2A
SCHEMBL13416383 0.81 SIGMAR1 (0.63) SLC6A4TAAR1SLC18A2SIGMAR1KMT2A
SCHEMBL765297 0.78 TAAR1 (0.65) SLC6A4TAAR1SLC18A2SIGMAR1ACACB
SCHEMBL8676494 0.73 TRPA1 (0.47) TAAR1ACACBKMT2ATSHRMAPK1
SCHEMBL1178159 0.72 PTGS1 (0.48) TAAR1TSHRMAPK1ATMTDP1
SCHEMBL178497 0.70 L3MBTL1 (0.48) TAAR1PLK1TSHRMAPK1ATM
SCHEMBL178495 0.70 L3MBTL1 (0.48) TAAR1PLK1TSHRMAPK1ATM
SCHEMBL8285049 0.70 L3MBTL1 (0.48) TAAR1PLK1TSHRMAPK1ATM
SCHEMBL19937538 0.69 L3MBTL1 (0.40) SLC6A4TAAR1PLK1TSHRMAPK1

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-20140135270-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS BRISTOL-MYERS SQUIBB COMPANY 2014-05-15 — — 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-20140135270-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS BAX, API5, BCL2 SLC6A4 4734/4885TAAR1 4852/4885SLC18A2 4765/4885

“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.

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