SCHEMBL6917744

SCHEMBL6917744

COC(=O)CC1CC[C@@H](N)[C@H](c2ccc(C(F)(F)F)nc2)C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.44
DGAT1 O75907 2/20 0.41
KCNH2 Q12809 1/20 0.39
KDM1A O60341 3/20 0.39
P2RX7 Q99572 2/20 0.38
PSEN1 P49768 6/20 0.38
PSEN2 P49810 6/20 0.38
APH1B Q8WW43 6/20 0.38
NCSTN Q92542 6/20 0.38
APH1A Q96BI3 6/20 0.38
PSENEN Q9NZ42 6/20 0.38
SSTR4 P31391 3/20 0.38
SSTR1 P30872 1/20 0.38
MAOB P27338 1/20 0.37
HDAC4 P56524 1/20 0.37
FPR1 P21462 1/20 0.37
FPR2 P25090 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
SCHEMBL13836605 0.87 DGAT1 (0.50) HRH3DGAT1KCNH2KDM1APSEN1
SCHEMBL6918804 0.83 KDM4E (0.45) KCNH2KDM1APSEN1PSEN2APH1B
SCHEMBL6918303 0.79 KDM1A (0.47) KDM1A
SCHEMBL6917416 0.77 MDM2 (0.48)
SCHEMBL15314513 0.74 HRH3 (0.55) HRH3DGAT1KCNH2KDM1AP2RX7
SCHEMBL12128172 0.74 HRH3 (0.55) HRH3DGAT1KCNH2KDM1AP2RX7
SCHEMBL455274 0.74 HRH3 (0.55) HRH3DGAT1KCNH2KDM1AP2RX7
SCHEMBL451266 0.74 HRH3 (0.55) HRH3DGAT1KCNH2KDM1AP2RX7
SCHEMBL180703 0.70 DGAT1 (0.81) DGAT1FPR1FPR2
SCHEMBL23550031 0.70 HRH3 (0.58) HRH3DGAT1KCNH2KDM1ASSTR4

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-20120295923-A1 Aminocyclohexanes and Aminotetrahydropyrans and Related Compounds As Gamma-Secretase Modulators PFIZER INC. 2012-11-22 US disclosed
WO-2011092611-A1 AMINOCYCLOHEXANES AND AMINOTETRAHYDROPYRANS AND RELATED COMPOUNDS AS GAMMA-SECRETASE MODULATORS PFIZER INC. (US) 2011-08-04 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-20120295923-A1 Aminocyclohexanes and Aminotetrahydropyrans and Related Compounds As Gamma-Secretase Modulators BACE1, BACE2, PSEN1 HRH3 1661/4885DGAT1 3607/4885KCNH2 2392/4885

“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.