SCHEMBL4885818

SCHEMBL4885818

CC(c1ccccc1)N1CC2C(COC(=O)Cc3cccc(C4CCCCC4)c3O)C2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.36
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
P2RX3 P56373 1/20 0.32
CYP3A4 P08684 4/20 0.32
CYP2D6 P10635 3/20 0.32
CYP1A2 P05177 2/20 0.32
CHRM2 P08172 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD1 P21728 1/20 0.32
SLC6A2 P23975 1/20 0.32
ADRA1A P35348 1/20 0.32
OPRM1 P35372 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
SCHEMBL3222108 0.78 NAAA (0.36) NAAASMN1; SMN2PTGDR2OPRM1BCL9
SCHEMBL3201464 0.78 NAAA (0.36) NAAASMN1; SMN2PTGDR2OPRM1BCL9
SCHEMBL4884661 0.78 SIGMAR1 (0.33) NAAA
SCHEMBL4887368 0.76 CHRM2 (0.33) NAAACHRM2CHRM1DRD3
SCHEMBL4885118 0.76 DRD2 (0.41) NAAAPTGDR2DRD1DRD3
SCHEMBL3205175 0.76 BCHE (0.37) NAAAPTGDR2
SCHEMBL3217075 0.76 BCHE (0.37) NAAAPTGDR2
SCHEMBL4618354 0.76 NAAA (0.38) NAAASMN1; SMN2PTGDR2CYP2D6SLC6A2
SCHEMBL4885282 0.75 DRD2 (0.42) NAAADRD1DRD3
SCHEMBL4184613 0.75 CHRM2 (0.35) NAAAHPGDSMN1; SMN2TSHRPTGDR2

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-20080319043-A1 3,6-Disubstituted Azabicyclo (3.1.0) Hexane Derivatives as Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-12-25 US claimed
US-20080319043-A1 3,6-Disubstituted Azabicyclo (3.1.0) Hexane Derivatives as Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-12-25 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-20080319043-A1 3,6-Disubstituted Azabicyclo (3.1.0) Hexane Derivatives as Muscarinic Receptor Antagonists CHRM3, CHRM5, CHRM2 NAAA 1154/4885HPGD 559/4885SMN1; SMN2 3486/4885

“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.