SCHEMBL18925486

SCHEMBL18925486

Cc1ccc([C@H](NC(C)C)[C@@H](NC(C)C)c2ccc(F)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.52
▸ NFE2L2 Q16236 3/20 0.42
▸ HTR1A P08908 1/20 0.41
▸ HTR7 P34969 1/20 0.41
▸ HTR6 P50406 1/20 0.41
▸ LMNA P02545 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KEAP1 Q14145 2/20 0.36
▸ HTT P42858 2/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ GAA P10253 2/20 0.35
▸ SLC6A9 P48067 1/20 0.35
▸ CHRNA7 P36544 1/20 0.34

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
SCHEMBL17465581 0.92 IDO1 (0.38) ACHELMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL18925491 0.89 CHRNA7 (0.41) ACHENFE2L2LMNAALDH1A1SMN1; SMN2
SCHEMBL18925496 0.79 ACHE (0.56) ACHENFE2L2HTR1AHTR7HTR6
SCHEMBL20021546 0.77 ACHE (0.56) ACHEALDH1A1SMN1; SMN2TDP1KMT2A
SCHEMBL2680435 0.76 ACHE (0.65) ACHENFE2L2HTR1AHTR7HTR6
SCHEMBL10087171 0.74 HTT (0.46) LMNAALDH1A1KMT2AMEN1HTT
SCHEMBL10315763 0.74 HTT (0.46) LMNAALDH1A1KMT2AMEN1HTT
SCHEMBL14561176 0.74 HTT (0.46) LMNAALDH1A1KMT2AMEN1HTT
SCHEMBL20868149 0.73 ACHE (0.68) ACHENFE2L2HTR1AHTR7HTR6
SCHEMBL12789806 0.72 ACHE (0.59) ACHENFE2L2HTR1AHTR7HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9862725-B2 Process for preparing chiral dipeptidyl peptidase-IV inhibitors MERCK SHARP & DOHME CORP. (US) 2018-01-09 — — US disclosed
US-20170158701-A1 PROCESS FOR PREPARING CHIRAL DIPEPTIDYL PEPTIDASE-IV INHIBITORS MERCK SHARP & DOHME LLC 2017-06-08 — — 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-20170158701-A1 PROCESS FOR PREPARING CHIRAL DIPEPTIDYL PEPTIDASE-IV INHIBITORS DPP4, PEPD, DPP9 ACHE 2067/4885NFE2L2 2963/4885HTR1A 914/4885

“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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