SCHEMBL2320170

SCHEMBL2320170

CC(C)(C)[S+]([O-])N[C@@H](CCc1ccccc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 3/20 0.42
CNR2 P34972 1/20 0.40
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
PLAAT3 P53816 1/20 0.38
PLAAT5 Q96KN8 1/20 0.38
PLAAT2 Q9NWW9 1/20 0.38
PLAAT4 Q9UL19 1/20 0.38
EEF2K O00418 2/20 0.37
CYP2C19 P33261 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
TSHR P16473 2/20 0.37
UTS2R Q9UKP6 3/20 0.36
KCNH2 Q12809 2/20 0.36
TMEM97 Q5BJF2 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CYP2D6 P10635 2/20 0.36

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
SCHEMBL8163235 0.88 KCNH2 (0.51) CNR2UTS2RKCNH2TMEM97MEN1
SCHEMBL4440361 0.86 MEN1 (0.53) CCR3UTS2RKCNH2TMEM97MEN1
SCHEMBL4428027 0.81 CASR (0.48) CCR3NPC1RAB9AUTS2RTMEM97
SCHEMBL4429764 0.81 CASR (0.41) TMEM97MEN1KMT2ALMNAALOX15
SCHEMBL4931589 0.80 EEF2K (0.40) EEF2KUTS2RMEN1KMT2A
SCHEMBL4428090 0.79 KCNH2 (0.41) CCR3NPC1KCNH2TMEM97MEN1
SCHEMBL31750626 0.79 EEF2K (0.41) EEF2KUTS2R
SCHEMBL22229446 0.77 RIPK1 (0.37) CNR2NPC1RAB9AEEF2KCYP2C19
SCHEMBL22229445 0.77 RIPK1 (0.37) CNR2NPC1RAB9AEEF2KCYP2C19
SCHEMBL22229447 0.77 RIPK1 (0.37) CNR2NPC1RAB9AEEF2KCYP2C19

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-8203004-B2 Tetrahydroindole derivatives for treatment of alzheimer's disease MERCK, SHARP & DOHME LIMITED (GB) 2012-06-19 US disclosed
EP-1948603-B1 TETRAHYDROINDOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (GB) 2011-08-10 EP disclosed
US-20100016308-A1 Tetrahydroindole Derivatives for Treatment of Alzheimer's Disease MERCK SHARP & DOHME LIMITED (GB) 2010-01-21 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-20100016308-A1 Tetrahydroindole Derivatives for Treatment of Alzheimer's Disease BACE1, BACE2, PSEN2 CCR3 4866/4885CNR2 656/4885NPC1 1298/4885

“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.