SCHEMBL30134829

SCHEMBL30134829

CC(C)(C)OC(=O)NC[C@H]1Cc2cc(Br)ccc2Oc2cccnc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 6/20 0.38
▸ ACACA Q13085 4/20 0.38
▸ FNTA P49354 1/20 0.38
▸ FNTB P49356 1/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ RAF1 P04049 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ MAP2K2 P36507 1/20 0.36
▸ MAP2K1 Q02750 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ RORC P51449 3/20 0.36
▸ BACE1 P56817 1/20 0.34
▸ CXCR4 P61073 1/20 0.34
▸ AAK1 Q2M2I8 3/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ GLS O94925 1/20 0.33
▸ CKS1B P61024 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
SCHEMBL24631682 1.00 ACACB (0.38) ACACBACACAFNTAFNTBMEN1
SCHEMBL24631457 1.00 ACACB (0.38) ACACBACACAFNTAFNTBMEN1
SCHEMBL24631670 0.88 ACACB (0.41) ACACBACACAFNTAFNTBCXCR4
SCHEMBL30134764 0.88 ACACB (0.41) ACACBACACAFNTAFNTBCXCR4
SCHEMBL30134766 0.88 ACACB (0.41) ACACBACACAFNTAFNTBCXCR4
SCHEMBL24631674 0.88 ACACB (0.41) ACACBACACAFNTAFNTBCXCR4
SCHEMBL30134709 0.81 ACACB (0.38) ACACBACACAFNTAFNTBEGFR
SCHEMBL24631436 0.81 ACACB (0.38) ACACBACACAFNTAFNTBEGFR
SCHEMBL24631462 0.77 ACACB (0.42) ACACBACACARORCDRD2CKS1B
SCHEMBL24631455 0.77 ACACB (0.43) ACACBACACAFNTAFNTBMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240245658-A1 TAAR1 AND SEROTONIN MODULATORS, AND PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2024-07-25 — — US disclosed
EP-4319738-A1 TAAR1 AND SEROTONIN MODULATORS, AND PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2024-02-14 — — EP disclosed
WO-2022217265-A1 TAAR1 AND SEROTONIN MODULATORS, AND PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2022-10-13 — — WO 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-20240245658-A1 TAAR1 AND SEROTONIN MODULATORS, AND PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF TAAR1, TAAR5, NPY1R ACACB 4730/4885ACACA 4533/4885FNTA 4555/4885

“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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