SCHEMBL21378470

SCHEMBL21378470

CC(NC(=O)C(F)(F)F)c1ccc(CN2CCN(C)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 13/20 0.52
▸ POLB P06746 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.48
▸ NTRK1 P04629 2/20 0.46
▸ HTT P42858 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL21378468 1.00 ACACB (0.52) ACACBPOLBRAB9AHDAC6ALDH1A1
SCHEMBL21378567 0.86 HRH3 (0.51) ACACBPOLBRAB9AALDH1A1
SCHEMBL21378570 0.86 HRH3 (0.51) ACACBPOLBRAB9AALDH1A1
SCHEMBL20101836 0.84 ACACB (0.46) ACACBPOLBRAB9AALDH1A1HTT
SCHEMBL18459333 0.83 RAB9A (0.47) ACACBPOLBRAB9AALDH1A1HTT
SCHEMBL18459334 0.83 RAB9A (0.47) ACACBPOLBRAB9AALDH1A1HTT
SCHEMBL19179414 0.81 HDAC6 (0.48) ACACBPOLBRAB9AHDAC6ALDH1A1
SCHEMBL14846692 0.81 HDAC6 (0.48) ACACBPOLBRAB9AHDAC6ALDH1A1
SCHEMBL21388664 0.80 ALDH1A1 (0.50) ACACBPOLBRAB9AHDAC6ALDH1A1
SCHEMBL19179478 0.77 CHKA (0.52) ACACBPOLBRAB9AHDAC6

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-11370758-B2 IDO-TDO dual inhibitor and related methods of use CMG PHARMACEUTICAL CO., LTD. (KR) 2022-06-28 — — US disclosed
WO-2019180686-A1 IDO-TDO DUAL INHIBITOR AND RELATED METHODS OF USE CMG PHARMACEUTICAL CO., LTD. (KR) 2019-09-26 — — WO disclosed
US-20190292150-A1 IDO-TDO DUAL INHIBITOR AND RELATED METHODS OF USE CMG PHARMACEUTICAL CO., LTD. (KR) 2019-09-26 — — 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 (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 ACACB 2173/4885POLB 3553/4885RAB9A 2763/4885
US-11370758-B2 IDO-TDO dual inhibitor and related methods of use IDO1, IDO2, TDO2 ACACB 2173/4885POLB 3553/4885RAB9A 2763/4885

“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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