SCHEMBL2859953

SCHEMBL2859953

C=CCC(Nc1ccc(C(C)C)cc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UTS2R Q9UKP6 2/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ TGM2 P21980 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ ATM Q13315 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ KIF11 P52732 1/20 0.35
▸ GCGR P47871 1/20 0.35
▸ TEAD1 P28347 3/20 0.34
▸ PDE2A O00408 1/20 0.34
▸ KCNH3 Q9ULD8 1/20 0.34
▸ VDR P11473 1/20 0.34
▸ PANK3 Q9H999 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
SCHEMBL8299228 0.81 CA12 (0.43) UTS2RCA12CA1MMP2MAPT
SCHEMBL84043 0.73 PDE2A (0.53) ALDH1A1KIF11PDE2A
SCHEMBL15232736 0.72 TGM2 (0.36) UTS2RTGM2MAPTKDM4EALDH1A1
SCHEMBL2862463 0.71 EEF2K (0.37) UTS2RCA1TGM2ATML3MBTL1
Ammonia Solution, Strong SCHEMBL27642816 0.71 PDE2A (0.52) ALDH1A1KIF11PDE2A
SCHEMBL5782709 0.70 UTS2R (0.40) UTS2RMAPTALDH1A1TP53KIF11
SCHEMBL27634082 0.69 UTS2R (0.40) UTS2RMAPTTP53KIF11GCGR
SCHEMBL16506129 0.69 CYP3A4 (0.51) UTS2RCA12CA1MMP2MAPT
SCHEMBL855311 0.69 FFAR1 (0.55) MAPTKDM4EALDH1A1ALOX15L3MBTL1
SCHEMBL7438162 0.69 ALDH1A1 (0.54) MAPTKDM4EALDH1A1ALOX15HSD17B10

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
EP-1805141-B1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (GB) 2010-01-20 — — EP disclosed
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
EP-1805141-A1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LTD. (GB) 2007-07-11 — — EP disclosed
WO-2006043064-A1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LIMITED (GB) 2006-04-27 — — 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 (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 UTS2R 3993/4885CA12 4752/4885CA1 2082/4885

“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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