SCHEMBL4892907

SCHEMBL4892907

CN1CCC(c2ccc(F)c(F)c2F)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.43
OPRL1 P41146 1/20 0.42
QDPR P09417 1/20 0.39
RBP4 P02753 1/20 0.38
HTR6 P50406 2/20 0.38
HTR1D P28221 2/20 0.38
HTR1B P28222 2/20 0.38
HTR1F P30939 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
THPO P40225 1/20 0.38

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
SCHEMBL3768131 0.87 HTR6 (0.43) APPHTR6
SCHEMBL24727594 0.85 RBP4 (0.52) RBP4
SCHEMBL3431768 0.78 QDPR (0.37) OPRL1QDPRHTR1DHTR1BHTR1F
SCHEMBL4969208 0.77 OPRL1 (0.64) APPOPRL1
SCHEMBL24310108 0.77 QDPR (0.46) QDPRHTR6HTR1FCYP1A2CYP3A4
SCHEMBL1824890 0.77 KDM4E (0.47) HTR6
SCHEMBL3064543 0.77 ESR2 (0.39) OPRL1RBP4
SCHEMBL4975027 0.76 GRM2 (0.47) APPOPRL1
SCHEMBL27788973 0.76 EPHX2 (0.40) OPRL1
SCHEMBL3772646 0.76 RBP4 (0.48) RBP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABELMAN MATTHEW 2008-11-27 US claimed
US-20070010544-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-01-11 US claimed
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS PFIZER INC. 2008-12-18 US disclosed
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABELMAN MATTHEW 2008-11-27 US disclosed
US-7432276-B2 ABCA1 elevating compounds CV THERAPEUTICS, INC. (US) 2008-10-07 US disclosed
US-7423045-B2 ABCA1 elevating compounds CV THERAPEUTICS, INC. (US) 2008-09-09 US disclosed
US-20070191379-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-08-16 US disclosed
US-20070010544-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-01-11 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 (4 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-20070191379-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP APP 1687/4885OPRL1 2532/4885QDPR 2071/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP APP 1687/4885OPRL1 2532/4885QDPR 2071/4885
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS AZI2, PAICS, UGT2B7 APP 4868/4885OPRL1 4075/4885QDPR 74/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP APP 1687/4885OPRL1 2532/4885QDPR 2071/4885

“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.