SCHEMBL885265

SCHEMBL885265

OC1CCc2ccccc2CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 4/20 0.52
PLAU P00749 1/20 0.50
TSHR P16473 1/20 0.48
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
HTR1A P08908 1/20 0.42
SLC18A3 Q16572 1/20 0.42
GRIN2B Q13224 2/20 0.42
HTR2C P28335 1/20 0.42

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
SCHEMBL18962307 0.91 TSHR (0.52) ANPEPPLAUTSHRSLC18A3
SCHEMBL2943529 0.87 ANPEP (0.57) ANPEPPLAUTSHRMTNR1AMTNR1B
SCHEMBL291460 0.87 ANPEP (0.57) ANPEPPLAUTSHRMTNR1AMTNR1B
SCHEMBL13998125 0.87 ANPEP (0.57) ANPEPPLAUTSHRMTNR1AMTNR1B
SCHEMBL6951241 0.87 ANPEP (0.57) ANPEPPLAUTSHRMTNR1AMTNR1B
SCHEMBL20445626 0.87 TSHR (0.54) ANPEPPLAUTSHRSLC18A3
Water SCHEMBL22090286 0.85 ANPEP (0.55) ANPEPPLAUMTNR1AMTNR1BCA1
Ammonia Solution, Strong SCHEMBL6107709 0.85 ANPEP (0.55) ANPEPPLAUMTNR1AMTNR1BCA1
Iodide SCHEMBL10818108 0.84 ANPEP (0.53) ANPEPPLAUMTNR1AMTNR1BCA1
Cyclohexanol SCHEMBL11330945 0.80 TSHR (0.59) ANPEPTSHRSLC18A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2222647-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS Cephalon, Inc. (US) 2010-09-01 EP claimed
WO-2008051547-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2008-05-02 WO claimed
EP-2222647-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS Cephalon, Inc. (US) 2010-09-01 EP disclosed
WO-2008051547-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2008-05-02 WO disclosed
US-20050014818-A1 Process for producing optically active chroman derivative and intermediate KANEKA CORPORATION (JP) 2005-01-20 US disclosed
EP-1445324-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE CHROMAN DERIVATIVE AND INTERMEDIATE KANEKA CORPORATION (JP) 2004-08-11 EP 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-20050014818-A1 Process for producing optically active chroman derivative and intermediate CYP8B1, CYP3A43, HPD ANPEP 1934/4885PLAU 616/4885TSHR 4338/4885

“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.