SCHEMBL1786483

SCHEMBL1786483

O=Cc1cn(C2CCCC2)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 7/20 0.51
IMPDH2 P12268 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HTR6 P50406 3/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRL1 P41146 1/20 0.43
PIM1 P11309 3/20 0.42
PIM3 Q86V86 3/20 0.42
PIM2 Q9P1W9 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 2/20 0.41
UBE2N P61088 1/20 0.41
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL2363140 0.88 KDM4E (0.61) KDM4EALDH1A1IMPDH2MEN1KMT2A
SCHEMBL6015891 0.81 HTR3A (0.49) KDM4EALDH1A1IMPDH2OPRM1OPRD1
SCHEMBL8986564 0.80 MAPT (0.53) KDM4EALDH1A1MEN1KMT2AOPRM1
SCHEMBL8758281 0.80 MAPT (0.53) KDM4EALDH1A1MEN1KMT2AOPRM1
SCHEMBL20229893 0.77 OPRL1 (0.74) OPRM1OPRD1OPRL1
SCHEMBL18920998 0.77 OPRL1 (0.74) OPRM1OPRD1OPRL1
SCHEMBL23004764 0.76 OPRL1 (0.53) ALDH1A1IMPDH2OPRM1OPRD1OPRL1
SCHEMBL28602097 0.76 XDH (0.41) KDM4EALDH1A1MEN1KMT2A
SCHEMBL21179604 0.76 OPRL1 (0.53) KDM4EMEN1KMT2AOPRM1OPRD1
SCHEMBL8986535 0.76 KDM4E (0.45) KDM4EALDH1A1MEN1KMT2AHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124674-A1 5/5-OR 5/6-MEMBERED CONDENSED RING CYCLOALKYLAMINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-05-26 US disclosed
US-20110124674-A1 5/5-OR 5/6-MEMBERED CONDENSED RING CYCLOALKYLAMINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-05-26 US disclosed
EP-2319841-A1 (5-MEMBERED)-(5-MEMBERED) OR (5-MEMBERED)-(6-MEMBERED) FUSED RING CYCLOALKYLAMINE DERIVATIVE MSD K.K. (JP) 2011-05-11 EP disclosed
EP-2319841-A1 (5-MEMBERED)-(5-MEMBERED) OR (5-MEMBERED)-(6-MEMBERED) FUSED RING CYCLOALKYLAMINE DERIVATIVE MSD K.K. (JP) 2011-05-11 EP disclosed
WO-2010013595-A1 (5-MEMBERED)-(5-MEMBERED) OR (5-MEMBERED)-(6-MEMBERED) FUSED RING CYCLOALKYLAMINE DERIVATIVE 萬有製薬株式会社 (JP) 2010-02-04 WO disclosed
EP-0623138-B1 NEW ADENOSINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM UNION PHARMA SCIENT APPL (FR) 1997-05-21 EP disclosed
US-5480983-A ANALGESICS, HYPOTENSIVE AGENTS LABORATOIRES UPSA (FR) 1996-01-02 US disclosed
WO-1993014102-A1 NEW ADENOSINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LABORATOIRES UPSA (FR) 1993-07-22 WO disclosed
US-5229505-A CNS and cardiovascular effects LABORATOIRES UPSA (FR) 1993-07-20 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-20110124674-A1 5/5-OR 5/6-MEMBERED CONDENSED RING CYCLOALKYLAMINE DERIVATIVE MCHR1, MC5R, MCHR2 KDM4E 3364/4885ALDH1A1 1615/4885IMPDH2 4440/4885

“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.