SCHEMBL6918702

SCHEMBL6918702

O=C(O)C[C@@H]1CC[C@@H](N(CC2CCCC2)CC2CCCC2)[C@H](c2cccc(C(F)(F)F)c2)O1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.40
UBE2M P61081 3/20 0.37
DCUN1D1 Q96GG9 3/20 0.37
RXFP1 Q9HBX9 1/20 0.37
TACR1 P25103 7/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.34
HTR2C P28335 1/20 0.34
EPHX2 P34913 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
SCHEMBL6917109 0.89 MGLL (0.35) TACR1HTR2C
SCHEMBL6917695 0.89 MGLL (0.35) TACR1HTR2C
SCHEMBL2318758 0.85 MDM2 (0.47) FFAR1EPHX2
SCHEMBL6917699 0.81 PSEN1 (0.40)
SCHEMBL6917599 0.80 DGAT1 (0.40)
SCHEMBL2317340 0.80 MDM2 (0.35)
SCHEMBL6918652 0.79 MDM2 (0.41) RAB9A
SCHEMBL6917411 0.79 MDM2 (0.31) EPHX2
SCHEMBL2316531 0.76 KMT2A (0.35) RAB9A
SCHEMBL6917708 0.76 ALDH1A1 (0.39) UBE2MDCUN1D1

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-20120295923-A1 Aminocyclohexanes and Aminotetrahydropyrans and Related Compounds As Gamma-Secretase Modulators PFIZER INC. 2012-11-22 US claimed
US-20120295923-A1 Aminocyclohexanes and Aminotetrahydropyrans and Related Compounds As Gamma-Secretase Modulators PFIZER INC. 2012-11-22 US disclosed
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 FFAR1 1528/4885UBE2M 2553/4885DCUN1D1 3194/4885

“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.