SCHEMBL4497573

SCHEMBL4497573

CCOC(=O)[C@H]1CCCN(Cc2cc(C(F)(F)F)ccc2C(F)(F)F)[C@H]1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.51
▸ ALDH1A1 P00352 5/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ FFAR1 O14842 8/20 0.41
▸ PRKG1 Q13976 1/20 0.41
▸ SLC18A2 Q05940 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ F2RL1 P55085 1/20 0.37
▸ TACR1 P25103 1/20 0.37

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
SCHEMBL2856704 0.86 FFAR1 (0.45) FFAR1PRKG1TACR1
SCHEMBL2856701 0.86 FFAR1 (0.45) FFAR1PRKG1TACR1
SCHEMBL2862163 0.86 FFAR1 (0.45) FFAR1PRKG1TACR1
SCHEMBL13604437 0.79 TACR1 (0.43) KDM4EALDH1A1FFAR1PRKG1TACR1
SCHEMBL13604475 0.79 FFAR1 (0.40) KDM4EALDH1A1FFAR1PRKG1TACR1
SCHEMBL8267673 0.79 KDM4E (0.45) KDM4EALDH1A1SMN1; SMN2FFAR1TSHR
SCHEMBL2862026 0.79 FFAR1 (0.46) FFAR1PRKG1TACR1
SCHEMBL2864402 0.79 FFAR1 (0.46) FFAR1PRKG1TACR1
SCHEMBL2862301 0.79 FFAR1 (0.46) FFAR1PRKG1TACR1
SCHEMBL4490915 0.79 FFAR1 (0.46) FFAR1PRKG1TACR1

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 4 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-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
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 KDM4E 3480/4885ALDH1A1 736/4885SMN1; SMN2 1132/4885

“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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