SCHEMBL7558636

SCHEMBL7558636

COc1ccc(OC)c(CC[NH])c1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.68
TAAR1 Q96RJ0 1/20 0.68
AOC3 Q16853 1/20 0.60
IDO1 P14902 2/20 0.58
HTR2A P28223 2/20 0.54
HSD17B10 Q99714 1/20 0.54
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
HTR2C P28335 1/20 0.49

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
SCHEMBL42577 0.84 IDO1 (0.65) ADRA1ATAAR1AOC3IDO1HTR2A
SCHEMBL5154843 0.82 ADRA1A (0.70) ADRA1ATAAR1AOC3IDO1HTR2A
SCHEMBL1145887 0.81 ADRA1A (0.68) ADRA1ATAAR1AOC3IDO1HTR2A
SCHEMBL479514 0.81 TAAR1 (1.00) ADRA1ATAAR1AOC3IDO1HTR2A
SCHEMBL7524528 0.81 ADRA1A (0.68) ADRA1ATAAR1AOC3IDO1HTR2A
SCHEMBL25308876 0.81 ADRA1A (0.68) ADRA1ATAAR1AOC3IDO1HTR2A
SCHEMBL7060410 0.81 ADRA1A (0.68) ADRA1ATAAR1AOC3IDO1HTR2A
SCHEMBL8867858 0.81 ADRA1A (0.68) ADRA1ATAAR1AOC3IDO1HTR2A
SCHEMBL29491077 0.81 TAAR1 (1.00) ADRA1ATAAR1AOC3IDO1HTR2A
SCHEMBL3149899 0.81 ADRA1A (0.68) ADRA1ATAAR1AOC3IDO1HTR2A

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-20020058788-A1 Facile deprotection of Fmoc protected amino groups DISCOVERY PARTNERS INTERNATIONAL, INC. 2002-05-16 US claimed
US-20020103381-A1 Method for the synthesis of pyrazolines CHEMRX ADVANCED TECHNOLOGIES, INC. 2002-08-01 US disclosed
US-20020058788-A1 Facile deprotection of Fmoc protected amino groups DISCOVERY PARTNERS INTERNATIONAL, INC. 2002-05-16 US disclosed
WO-2001040193-A1 METHOD FOR THE SYNTHESIS OF PYRAZOLINES CHEMRX ADVANCED TECHNOLOGIES, INC. (US) 2001-06-07 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-20020103381-A1 Method for the synthesis of pyrazolines CYP2F1, CYP2E1, CYP3A7 ADRA1A 1755/4885TAAR1 2118/4885AOC3 878/4885
US-20020058788-A1 Facile deprotection of Fmoc protected amino groups DNPEP, LNPEP, NPEPPS ADRA1A 4454/4885TAAR1 1082/4885AOC3 2298/4885

“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.