SCHEMBL4531718

SCHEMBL4531718

COCC12CNCC(=O)N1CC1(CCN(Cc3ccccc3)CC1)N2CCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 9/20 0.41
TSHR P16473 7/20 0.38
CYP3A4 P08684 4/20 0.38
ADRA1B P35368 1/20 0.37
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
HIF1A Q16665 1/20 0.35
CCR5 P51681 1/20 0.35
OPRM1 P35372 2/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
USP2 O75604 1/20 0.35
MAPK1 P28482 1/20 0.35
SIGMAR1 Q99720 2/20 0.35
ADRA2A P08913 1/20 0.35
HTR2A P28223 1/20 0.35

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
SCHEMBL4518334 0.90 CYP2D6 (0.39) CYP2D6TSHRCYP3A4ADRA1BALDH1A1
SCHEMBL4530558 0.88 CYP2D6 (0.40) CYP2D6TSHRCYP3A4ADRA1BALDH1A1
SCHEMBL4531716 0.84 CYP2D6 (0.39) CYP2D6TSHRCYP3A4ADRA1BALDH1A1
SCHEMBL4533000 0.83 CYP2D6 (0.45) CYP2D6TSHRCYP3A4ADRA1BALDH1A1
SCHEMBL4531837 0.76 CYP2D6 (0.38) CYP2D6TSHRCYP3A4ADRA1BALDH1A1
SCHEMBL4517547 0.75 CYP2D6 (0.40) CYP2D6TSHRCYP3A4ALDH1A1MEN1
SCHEMBL4534827 0.73 CYP2D6 (0.44) CYP2D6TSHRCYP3A4ALDH1A1MEN1
SCHEMBL4515776 0.73 CYP2D6 (0.43) CYP2D6TSHRCYP3A4ADRA1BALDH1A1
SCHEMBL4532216 0.73 CYP2D6 (0.45) CYP2D6TSHRCYP3A4ADRA1BALDH1A1
SCHEMBL4517544 0.73 CYP2D6 (0.42) CYP2D6TSHRCYP3A4ALDH1A1MEN1

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 561/4885CYP3A4 344/4885

“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.