SCHEMBL21378605

SCHEMBL21378605

C[C@@H](NC(=O)C(F)(F)F)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ LMNA P02545 2/20 0.53
▸ ACACB O00763 2/20 0.52
▸ NAMPT P43490 1/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ HTT P42858 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ GPR119 Q8TDV5 7/20 0.47
▸ PDK2 Q15119 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ CTSS P25774 1/20 0.44
▸ CTSK P43235 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
SCHEMBL21378603 1.00 MAPT (0.53) MAPTALDH1A1LMNAACACBNAMPT
SCHEMBL21399862 0.87 MAPT (0.48) MAPTALDH1A1ACACBHTTNPC1
SCHEMBL18459333 0.84 RAB9A (0.47) MAPTALDH1A1ACACBSMN1; SMN2HTT
SCHEMBL18459334 0.84 RAB9A (0.47) MAPTALDH1A1ACACBSMN1; SMN2HTT
SCHEMBL19700726 0.84 MAPT (0.45) MAPTALDH1A1ACACBMEN1KMT2A
SCHEMBL21378569 0.84 MAPT (0.45) MAPTALDH1A1ACACBMEN1KMT2A
SCHEMBL19700725 0.84 MAPT (0.45) MAPTALDH1A1ACACBMEN1KMT2A
SCHEMBL20289586 0.84 MAPT (0.45) MAPTALDH1A1ACACBMEN1KMT2A
SCHEMBL20289632 0.83 MAPT (0.44) MAPTALDH1A1ACACBMEN1KMT2A
SCHEMBL21382546 0.82 ACACB (0.53) ACACBCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11370758-B2 IDO-TDO dual inhibitor and related methods of use CMG PHARMACEUTICAL CO., LTD. (KR) 2022-06-28 — — US disclosed
US-11370758-B2 IDO-TDO dual inhibitor and related methods of use CMG PHARMACEUTICAL CO., LTD. (KR) 2022-06-28 — — US disclosed
US-20190292150-A1 IDO-TDO DUAL INHIBITOR AND RELATED METHODS OF USE CMG PHARMACEUTICAL CO., LTD. (KR) 2019-09-26 — — US disclosed
US-20190292150-A1 IDO-TDO DUAL INHIBITOR AND RELATED METHODS OF USE CMG PHARMACEUTICAL CO., LTD. (KR) 2019-09-26 — — US disclosed
WO-2019180686-A1 IDO-TDO DUAL INHIBITOR AND RELATED METHODS OF USE CMG PHARMACEUTICAL CO., LTD. (KR) 2019-09-26 — — 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 (2 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-20190292150-A1 IDO-TDO DUAL INHIBITOR AND RELATED METHODS OF USE IDO1, IDO2, TDO2 MAPT 2138/4885ALDH1A1 1500/4885LMNA 4533/4885
US-11370758-B2 IDO-TDO dual inhibitor and related methods of use IDO1, IDO2, TDO2 MAPT 2138/4885ALDH1A1 1500/4885LMNA 4533/4885

“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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