SCHEMBL7107622

SCHEMBL7107622

Cn1c2c(c3cc(O)ccc31)CCN(C(=O)c1ccccc1)CC2

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.55
PTGS1 P23219 1/20 0.55
PTGS2 P35354 1/20 0.55
PTGDR2 Q9Y5Y4 5/20 0.48
BAZ2B Q9UIF8 1/20 0.47
TRPV1 Q8NER1 1/20 0.47
CNR1 P21554 2/20 0.46
HTR5A P47898 1/20 0.46
GRM5 P41594 1/20 0.46
MTHFD2 P13995 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL7039653 0.85 PTGDR2 (0.64) PTGS1PTGS2PTGDR2HTR5A
SCHEMBL6038325 0.83 HTR6 (0.66) PTGS1PTGDR2BAZ2BCNR1KCNH2
SCHEMBL7040453 0.79 PTGDR2 (0.50) PTGS1PTGS2PTGDR2BAZ2BCNR1
SCHEMBL6336082 0.78 CYP2C9 (0.58) PTGDR2HTR5A
SCHEMBL31117556 0.77 PTGDR2 (0.62) PTGDR2BAZ2BCNR1HTR5AMTHFD2
SCHEMBL7004630 0.72 TRPV1 (0.74) TRPV1
SCHEMBL10956606 0.70 GAA (0.47) ALOX5PTGS1PTGS2
SCHEMBL7036781 0.70 ALDH1A1 (0.38) PTGDR2CNR1HTR5AMTHFD2KCNH2
SCHEMBL6335173 0.69 F10 (0.51) PTGDR2
SCHEMBL26836992 0.69 ALOX5 (0.58) ALOX5PTGS1PTGS2BAZ2B

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-20030216378-A1 Azepino[4,5-b]pyrano[3,2-e]indoles PHARMACIA & UPJOHN CO. 2003-11-20 US disclosed
US-6503899-B2 Administering to the patient sufffering from anxiety, obesity, depression or stress related diseases an Azepino(4,5-b)pyrano(3,2-e)indoles PHARMACIA & UPJOHN COMPANY 2003-01-07 US disclosed
US-20020022616-A1 Azepino[4,5-b]pyrano[3,2-e]indoles PHARMACIA & UPJOHN COMPANY 2002-02-21 US disclosed
WO-2002004456-A1 SUBSTITUTED 2,3,7,8,9,10,11,12-OCTAHYDROAZEPINO[4,5-b]PYRANO[3,2-e]INDOLES PHARMACIA & UPJOHN COMPANY (US) 2002-01-17 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 (2 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-20030216378-A1 Azepino[4,5-b]pyrano[3,2-e]indoles NPY5R, HTR5A, IDO1 ALOX5 558/4885PTGS1 499/4885PTGS2 2058/4885
US-20020022616-A1 Azepino[4,5-b]pyrano[3,2-e]indoles NPY5R, HTR3C, HTR5A ALOX5 489/4885PTGS1 761/4885PTGS2 2437/4885

“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.