SCHEMBL6282004

SCHEMBL6282004

CC1(NC2CCCCC2)CN2C=CC=C(OCc3ccccc3)C2=N1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.37
SLC6A4 P31645 5/20 0.37
HTR2A P28223 4/20 0.37
SGMS2 Q8NHU3 1/20 0.35
CNR2 P34972 2/20 0.35
CNR1 P21554 1/20 0.35
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
ALDH1A1 P00352 2/20 0.34
ALOX5 P09917 2/20 0.34
KDM4E B2RXH2 2/20 0.33
OPRK1 P41145 1/20 0.33
FOXM1 Q08050 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL6281711 0.85 CNR2 (0.35) HTR2CSLC6A4HTR2ASGMS2CNR2
SCHEMBL11535532 0.66 MAOA (0.34) SMN1; SMN2
SCHEMBL11243618 0.65 LMNA (0.32) SMN1; SMN2
SCHEMBL30929883 0.60 CYP4F2 (0.34)
SCHEMBL4480785 0.60 EPHX2 (0.49) SGMS2CNR2CNR1KMT2AMEN1
SCHEMBL2659786 0.59 EPHX1 (0.42) SGMS2CNR2CNR1KMT2AMEN1
SCHEMBL2660289 0.59 EPHX1 (0.42) SGMS2CNR2CNR1KMT2AMEN1
SCHEMBL3411535 0.58 KMT2A (0.47) SGMS2CNR2CNR1KMT2AMEN1
SCHEMBL638679 0.58 MAOA (0.35)
SCHEMBL29405106 0.58 ATP4A (0.35) HTR2CSLC6A4HTR2AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6849642-B2 Bicyclic imidazo-3-yl-amine derivatives substituted on the 6-membered ring GRUENENTHAL GMBH (DE) 2005-02-01 US disclosed
US-20020183327-A1 Bicyclic imidazo-3-yl-amine derivatives substituted on the 6-membered ring GRUENENTHAL GMBH. 2002-12-05 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-20020183327-A1 Bicyclic imidazo-3-yl-amine derivatives substituted on the 6-membered ring OPRK1, GRIN3A, OPRM1 HTR2C 145/4885SLC6A4 175/4885HTR2A 146/4885

“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.