SCHEMBL757118

SCHEMBL757118

CC[C@@H](C)Oc1ccc(F)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.43
HTR2A P28223 2/20 0.41
SLC6A4 P31645 2/20 0.41
KCNH2 Q12809 2/20 0.41
TSHR P16473 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 3/20 0.40
NPC1 O15118 2/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SOS1 Q07889 1/20 0.40
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL9818894 0.85 HTR2A (0.40) HTR2ASLC6A4KCNH2TSHRKDM4E
SCHEMBL9818863 0.85 PRKAB2 (0.44) HTR2ASLC6A4KCNH2TSHRKDM4E
SCHEMBL9819125 0.85 HTR2A (0.40) HTR2ASLC6A4KCNH2TSHRKDM4E
SCHEMBL23898326 0.84 HTR2A (0.44) HTR2ASLC6A4KCNH2TSHRKDM4E
SCHEMBL14446351 0.82 SMN1; SMN2 (0.44) FFAR4HTR2ASLC6A4KCNH2TSHR
SCHEMBL9818755 0.81 TSHR (0.47) TSHRKDM4EMAPTNPC1HTT
SCHEMBL4855749 0.80 FFAR4 (0.41) FFAR4MAPT
SCHEMBL755279 0.80 FFAR4 (0.41) FFAR4MAPT
SCHEMBL19962980 0.79 MAOB (0.39) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL31550335 0.79 FFAR4 (0.43) FFAR4SLC6A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211904-B2 Spiropiperidine beta-secretase inhibitors for the treatment of alzheimer's disease Merck, Sharp & Dohme Corp. (US) 2012-07-03 US disclosed
EP-1910364-B1 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2012-03-21 EP disclosed
US-20070021454-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's disease MERCK SHARP & DOHME LLC 2007-01-25 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-20070021454-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's disease BACE1, APP, PSEN1 FFAR4 3909/4885HTR2A 1975/4885SLC6A4 2695/4885

“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.