SCHEMBL6837772

SCHEMBL6837772

COc1ccc(CNCCN2CCOCC2)c2cc(C(=O)NCCc3ccccc3)oc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.59
ADRA2A P08913 2/20 0.49
ADRA2B P18089 2/20 0.49
ADRA2C P18825 2/20 0.49
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
CYP2C9 P11712 3/20 0.45
CYP2D6 P10635 2/20 0.45
LMNA P02545 1/20 0.45
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GLA P06280 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
CD274 Q9NZQ7 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
SCHEMBL6837541 0.95 RXFP1 (0.57) RXFP1ADRA2AADRA2BADRA2CKDM4E
Hydrochloric Acid SCHEMBL6833210 0.92 RXFP1 (0.57) RXFP1ADRA2AADRA2BADRA2CKDM4E
Hydrochloric Acid SCHEMBL6837504 0.90 ADRA2A (0.55) RXFP1ADRA2AADRA2BADRA2CKDM4E
SCHEMBL6837577 0.88 RXFP1 (0.54) RXFP1ADRA2AADRA2BADRA2CKDM4E
SCHEMBL6837885 0.88 NPC1 (0.53) ADRA2AADRA2BADRA2CHSD17B10KMT2A
SCHEMBL6833343 0.86 RXFP1 (0.55) RXFP1ADRA2AADRA2BADRA2CKDM4E
SCHEMBL6837423 0.85 RXFP1 (0.51) RXFP1ADRA2AADRA2BADRA2CKDM4E
SCHEMBL6837419 0.85 RXFP1 (0.51) RXFP1ADRA2AADRA2BADRA2CKDM4E
SCHEMBL6837778 0.85 SMN1; SMN2 (0.52) ADRA2AADRA2BADRA2CHSD17B10KMT2A
SCHEMBL6836625 0.85 NPC1 (0.50) ADRA2AADRA2BADRA2CHSD17B10KMT2A

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 1019/4885ADRA2A 1965/4885ADRA2B 1631/4885

“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.