SCHEMBL6837554

SCHEMBL6837554

COc1ccc(CN2CCCC2)c2cc(C(=O)NCCc3ccccc3)oc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.58
ADRA2B P18089 4/20 0.58
ADRA2C P18825 4/20 0.58
MCHR1 Q99705 1/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ACHE P22303 4/20 0.47
ALOX5 P09917 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RXFP1 Q9HBX9 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL6836634 0.99 ADRA2A (0.57) ADRA2AADRA2BADRA2CMCHR1NPC1
SCHEMBL6837954 0.94 ADRA2A (0.56) ADRA2AADRA2BADRA2CMCHR1MEN1
Hydrochloric Acid SCHEMBL6837504 0.92 ADRA2A (0.55) ADRA2AADRA2BADRA2CNPC1RAB9A
SCHEMBL6839181 0.90 ADRA2A (0.56) ADRA2AADRA2BADRA2CMEN1KMT2A
SCHEMBL6839482 0.90 ADRA2A (0.55) ADRA2AADRA2BADRA2CMEN1KMT2A
SCHEMBL6837970 0.85 ADRA2A (0.52) ADRA2AADRA2BADRA2CMEN1KMT2A
SCHEMBL6837885 0.85 NPC1 (0.53) ADRA2AADRA2BADRA2CNPC1RAB9A
SCHEMBL6836758 0.85 NPC1 (0.53) ADRA2AADRA2BADRA2CNPC1RAB9A
SCHEMBL6837894 0.85 NPC1 (0.50) ADRA2AADRA2BADRA2CNPC1RAB9A
SCHEMBL6837901 0.85 ADRA2A (0.51) ADRA2AADRA2BADRA2CMEN1KMT2A

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 ADRA2A 1965/4885ADRA2B 1631/4885ADRA2C 1669/4885

“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.