SCHEMBL13604396

SCHEMBL13604396

COC(=O)C[C@H]1CCN[C@@H](c2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 1/20 0.43
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
HTR2C P28335 2/20 0.41
LMNA P02545 5/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
CACNA1F O60840 1/20 0.40
CACNA1D Q01668 1/20 0.40
CACNA1S Q13698 1/20 0.40
CACNA1C Q13936 1/20 0.40
PAX8 Q06710 1/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KDM1A O60341 1/20 0.39
PKM P14618 1/20 0.38

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
SCHEMBL1039190 0.86 KDM4E (0.42) ALDH1A1POLBHTR2CGAA
SCHEMBL9965883 0.86 KDM4E (0.42) ALDH1A1POLBHTR2CGAA
SCHEMBL8209905 0.86 KDM4E (0.42) ALDH1A1POLBHTR2CGAA
SCHEMBL27853041 0.86 HTR2C (0.45) HTR2CLMNASMN1; SMN2MAPTKDM1A
Hydrochloric Acid SCHEMBL2860924 0.85 HTR2C (0.46) HTR2CLMNASMN1; SMN2MAPTKDM1A
SCHEMBL8269033 0.84 LMNA (0.38) KMT2ALMNASMN1; SMN2MEN1
SCHEMBL581037 0.82 GUSB (0.47) GUSBAPOBEC3AAPOBEC3GALDH1A1KMT2A
SCHEMBL13513699 0.78 HTR2C (0.42) ALDH1A1KMT2APOLBHTR2CSMN1; SMN2
SCHEMBL27869978 0.77 FFAR1 (0.37)
SCHEMBL29087760 0.77 HTR2C (0.45) GUSBAPOBEC3AAPOBEC3GALDH1A1KMT2A

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-7638629-B2 Piperidines and related compounds for treatment of alzheimer's disease Merck Sharp & Dohme Ltd, (GB) 2009-12-29 US disclosed
US-20080021043-A1 Piperidines and Related Compounds for Treatment of Alzheimer's Disease MERCK SHARP & DOHME LTD. (GB) 2008-01-24 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-20080021043-A1 Piperidines and Related Compounds for Treatment of Alzheimer's Disease PSEN1, PSEN2, APP GUSB 2501/4885APOBEC3A 4006/4885APOBEC3G 3856/4885

“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.