SCHEMBL565753

SCHEMBL565753

CC1(O)CCC(N(Cc2ccccc2)C(=O)OC2(C)CCC(N(Cc3ccccc3)C(=O)O)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
OPRM1 P35372 7/20 0.40
CCR5 P51681 3/20 0.40
AGER Q15109 3/20 0.39
MTNR1A P48039 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM3 P20309 1/20 0.39
C5AR1 P21730 1/20 0.39
CTSD P07339 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL565752 1.00 LMNA (0.41) LMNAOPRM1CCR5AGERMTNR1A
SCHEMBL565751 0.89 LMNA (0.48) LMNAOPRM1CCR5AGERMTNR1A
SCHEMBL566999 0.89 LMNA (0.48) LMNAOPRM1CCR5AGERMTNR1A
SCHEMBL567000 0.89 LMNA (0.48) LMNAOPRM1CCR5AGERMTNR1A
SCHEMBL567001 0.89 LMNA (0.48) LMNAOPRM1CCR5AGERMTNR1A
SCHEMBL3370759 0.77 AGER (0.55) LMNAOPRM1AGERMTNR1ACHRM2
SCHEMBL383264 0.73 CCR5 (0.47) LMNACCR5
SCHEMBL2144199 0.73 CCR5 (0.47) LMNACCR5
SCHEMBL383265 0.73 CCR5 (0.47) LMNACCR5
SCHEMBL28453033 0.73 CCR5 (0.46) LMNACCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035213-A1 Quinoline derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-02-09 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-20120035213-A1 Quinoline derivative MC1R, MCHR1, MCHR2 LMNA 4478/4885OPRM1 96/4885CCR5 1135/4885

“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.