SCHEMBL6837577

SCHEMBL6837577

COc1ccc(CNCCN2CCOCC2)c2cc(C(=O)Nc3ccccc3)oc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.54
CYP2D6 P10635 3/20 0.46
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 1/20 0.46
EPHX2 P34913 2/20 0.46
ALDH1A1 P00352 2/20 0.46
USP2 O75604 1/20 0.46
PKM P14618 1/20 0.46
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MCHR1 Q99705 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL6837750 0.92 RXFP1 (0.51) RXFP1ALDH1A1LMNAL3MBTL1ADRA2A
SCHEMBL6837503 0.92 POLB (0.51) RXFP1CYP2D6CYP2C19CYP1A2CYP3A4
SCHEMBL6833343 0.91 RXFP1 (0.55) RXFP1CYP2D6CYP2C19CYP1A2CYP3A4
SCHEMBL6838032 0.90 RXFP1 (0.49) RXFP1CYP2D6CYP1A2CYP3A4EPHX2
Hydrochloric Acid SCHEMBL6833210 0.89 RXFP1 (0.57) RXFP1CYP2D6CYP2C19CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL6838058 0.88 ALDH1A1 (0.52) RXFP1ALDH1A1USP2PKMLMNA
SCHEMBL6837772 0.88 RXFP1 (0.59) RXFP1CYP2D6CYP2C19CYP1A2CYP3A4
SCHEMBL6837423 0.87 RXFP1 (0.51) RXFP1CYP2D6CYP2C19CYP1A2CYP3A4
SCHEMBL6837541 0.87 RXFP1 (0.57) RXFP1CYP2D6CYP2C19CYP1A2CYP3A4
SCHEMBL6837419 0.87 RXFP1 (0.51) RXFP1CYP2D6CYP2C19CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6716987-B1 PHOSPHODIESTERASE IV INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-04-06 US disclosed
US-6514996-B2 Derivatives of benzofuran or benzodioxole KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-02-04 US disclosed
US-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-09-12 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 (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-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE CBR1, CBR3, CYC1 RXFP1 1019/4885CYP2D6 187/4885CYP2C19 147/4885

“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.