SCHEMBL21388664

SCHEMBL21388664

C[C@@H](NC(O)C(F)(F)F)c1ccc(CN2CCN(C)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.50
▸ LMNA P02545 1/20 0.47
▸ CHKA P35790 4/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ MC4R P32245 1/20 0.45
▸ NTRK1 P04629 2/20 0.43
▸ CA2 P00918 1/20 0.43
▸ NCF1 P14598 1/20 0.43
▸ PRMT6 Q96LA8 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ IDH1 O75874 1/20 0.42
▸ ACACB O00763 2/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL21378470 0.80 ACACB (0.52) ALDH1A1HDAC6NTRK1POLBRAB9A
SCHEMBL21378468 0.80 ACACB (0.52) ALDH1A1HDAC6NTRK1POLBRAB9A
SCHEMBL19778598 0.75 LMNA (0.64) ALDH1A1LMNACHKAHDAC6MC4R
SCHEMBL15960142 0.75 LMNA (0.64) ALDH1A1LMNACHKAHDAC6MC4R
SCHEMBL21378560 0.75 LMNA (0.64) ALDH1A1LMNACHKAHDAC6MC4R
SCHEMBL6894415 0.75 LMNA (0.68) ALDH1A1LMNACHKAHDAC6MC4R
SCHEMBL21286657 0.75 LMNA (0.48) ALDH1A1LMNACHKAHDAC6MC4R
Hydrochloric Acid SCHEMBL21273658 0.74 LMNA (0.62) ALDH1A1LMNACHKAHDAC6MC4R
Hydrochloric Acid SCHEMBL21273655 0.74 LMNA (0.62) ALDH1A1LMNACHKAHDAC6MC4R
SCHEMBL19778437 0.73 LMNA (0.46) ALDH1A1LMNACHKAHDAC6MC4R

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-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 (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-20190292150-A1 IDO-TDO DUAL INHIBITOR AND RELATED METHODS OF USE IDO1, IDO2, TDO2 ALDH1A1 1500/4885LMNA 4533/4885CHKA 3440/4885

“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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