SCHEMBL4518334

SCHEMBL4518334

CCN1C2(CCN(Cc3ccccc3)CC2)CN2C(=O)CNCC21COC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.39
TSHR P16473 4/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
HIF1A Q16665 1/20 0.37
OPRM1 P35372 2/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
CCR5 P51681 6/20 0.37
ADRA1B P35368 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
ADRA2A P08913 1/20 0.36
HTR2A P28223 1/20 0.36
GAA P10253 1/20 0.36
CXCR3 P49682 1/20 0.36
CYP3A4 P08684 2/20 0.36

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
SCHEMBL4531718 0.90 CYP2D6 (0.41) CYP2D6TSHRMEN1ALDH1A1CYP2C9
SCHEMBL4530558 0.88 CYP2D6 (0.40) CYP2D6TSHRMEN1ALDH1A1CYP2C9
SCHEMBL4531716 0.84 CYP2D6 (0.39) CYP2D6TSHRMEN1ALDH1A1CYP2C9
SCHEMBL4534827 0.81 CYP2D6 (0.44) CYP2D6TSHRMEN1ALDH1A1CYP2C9
SCHEMBL4515776 0.75 CYP2D6 (0.43) CYP2D6TSHRMEN1ALDH1A1CYP2C9
SCHEMBL4531837 0.75 CYP2D6 (0.38) CYP2D6TSHRMEN1ALDH1A1KMT2A
SCHEMBL4515626 0.74 SIGMAR1 (0.43) CYP2D6TSHRMEN1ALDH1A1CYP2C9
SCHEMBL4517547 0.74 CYP2D6 (0.40) CYP2D6TSHRMEN1ALDH1A1CYP2C9
SCHEMBL4524242 0.73 CXCR4 (0.37) CYP2D6TSHRMEN1ALDH1A1CYP2C9
SCHEMBL4533000 0.72 CYP2D6 (0.45) CYP2D6TSHRALDH1A1CYP2C9CYP2C19

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-20090076015-A1 Tricyclic Spiro Compound Comprising Acyl Group Bound to Nitrogen Atom in the Ring MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-03-19 US disclosed
EP-1864984-A1 TRICYCLIC SPIRO COMPOUND COMPRISING ACYL GROUP BOUND TO NITROGEN ATOM IN THE RING MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 EP 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-20090076015-A1 Tricyclic Spiro Compound Comprising Acyl Group Bound to Nitrogen Atom in the Ring KCNH1, SCN1A, SCN10A CYP2D6 465/4885TSHR 561/4885MEN1 2108/4885

“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.