SCHEMBL4121807

SCHEMBL4121807

CN(C)C1(c2cccc(F)c2)CCC(O)(CCCc2c[nH]c3ccccc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
OPRL1 P41146 12/20 0.48
CDK4 P11802 1/20 0.48
CCND1 P24385 1/20 0.48
OPRM1 P35372 12/20 0.48
SLC6A4 P31645 2/20 0.47
OGFRL1 Q5TC84 1/20 0.47
HTR1A P08908 2/20 0.44
MPO P05164 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44

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
SCHEMBL3405972 0.89 OPRL1 (0.60) OPRL1CDK4OPRM1SLC6A4HTR1A
SCHEMBL4110049 0.87 OPRM1 (0.63) OPRL1OPRM1SLC6A4HTR1AMPO
SCHEMBL3432646 0.80 SLC6A4 (0.49) MAPTOPRL1OPRM1SLC6A4HTR1A
SCHEMBL3412042 0.79 OPRM1 (0.49) OPRL1OPRM1OGFRL1HTR2AHTR2C
SCHEMBL3412128 0.77 HTR6 (0.52) OPRL1OPRM1SLC6A4
SCHEMBL2378734 0.75 MAPT (0.55) MAPTOPRL1CDK4CCND1OPRM1
SCHEMBL2379116 0.75 MAPT (0.60) MAPTOPRL1CDK4CCND1OPRM1
SCHEMBL3433096 0.74 SLC6A4 (0.52) OPRL1CDK4CCND1OPRM1SLC6A4
Hydrochloric Acid SCHEMBL303144 0.74 MAPT (0.55) MAPTOPRL1CDK4CCND1OPRM1
Hydrochloric Acid SCHEMBL2379937 0.74 MAPT (0.59) MAPTOPRL1CDK4CCND1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288430-B2 Spiro(5.5)undecane derivatives GRUNENTHAL GMBH (DE) 2012-10-16 US disclosed
EP-2257526-B1 SPIRO(5.5)UNDECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2011-12-14 EP disclosed
US-20090247505-A1 SPIRO(5.5)UNDECANE DERIVATIVES GRUNENTHAL GMBH (DE) 2009-10-01 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-20090247505-A1 SPIRO(5.5)UNDECANE DERIVATIVES OPRL1, OPRD1, OPRM1 MAPT 1221/4885OPRL1 1/4885CDK4 2301/4885

“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.