SCHEMBL6837541

SCHEMBL6837541

COc1ccc(CNCCN2CCOCC2)c2cc(C(=O)NCCCc3ccccc3)oc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.57
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
ADRA2A P08913 2/20 0.48
ADRA2B P18089 2/20 0.48
ADRA2C P18825 2/20 0.48
DRD2 P14416 2/20 0.46
DRD3 P35462 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MMP13 P45452 1/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.44
HTR1A P08908 1/20 0.44
DRD1 P21728 1/20 0.44
DRD4 P21917 1/20 0.44
ADRA1D P25100 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 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
SCHEMBL6837772 0.95 RXFP1 (0.59) RXFP1CYP2D6CYP2C9ADRA2AADRA2B
Hydrochloric Acid SCHEMBL6833210 0.91 RXFP1 (0.57) RXFP1CYP2D6CYP2C9ADRA2AADRA2B
SCHEMBL6837907 0.88 SLC6A5 (0.48) ADRA2AADRA2BADRA2CKDM4EHSD17B10
SCHEMBL6833204 0.87 SLC6A5 (0.52) CYP2D6CYP2C9ADRA2AADRA2BADRA2C
SCHEMBL6837577 0.87 RXFP1 (0.54) RXFP1CYP2D6CYP2C9ADRA2AADRA2B
SCHEMBL6836625 0.85 NPC1 (0.50) ADRA2AADRA2BADRA2CHSD17B10LMNA
Hydrochloric Acid SCHEMBL6837504 0.85 ADRA2A (0.55) RXFP1CYP2D6CYP2C9ADRA2AADRA2B
SCHEMBL6833343 0.84 RXFP1 (0.55) RXFP1CYP2D6CYP2C9ADRA2AADRA2B
SCHEMBL6837954 0.84 ADRA2A (0.56) RXFP1ADRA2AADRA2BADRA2CDRD2
SCHEMBL6837423 0.84 RXFP1 (0.51) RXFP1CYP2D6CYP2C9ADRA2AADRA2B

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 187/4885CYP2C9 94/4885

“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.