SCHEMBL1801528

SCHEMBL1801528

COc1ccc(CN2C(=O)[C@H](Cc3ccccc3)NC23CCN(Cc2ccc(Cl)cc2)CC3)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 2/20 0.57
SIGMAR1 Q99720 2/20 0.49
CCR5 P51681 6/20 0.48
CHRM3 P20309 2/20 0.48
CHRM2 P08172 1/20 0.48
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
MMP1 P03956 1/20 0.44
MMP3 P08254 1/20 0.44
MMP9 P14780 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
SCHEMBL2933986 0.87 CYP2D6 (0.54) CXCR3ALDH1A1MEN1KMT2ACYP2D6
SCHEMBL1801247 0.87 CYP2D6 (0.54) CXCR3ALDH1A1MEN1KMT2ACYP2D6
SCHEMBL2933989 0.87 CYP2D6 (0.54) CXCR3ALDH1A1MEN1KMT2ACYP2D6
Hydrochloric Acid SCHEMBL1800675 0.87 CYP2D6 (0.53) CXCR3ALDH1A1MEN1KMT2ACYP2D6
SCHEMBL3915181 0.82 LMNA (0.55) ALDH1A1MEN1KMT2ATSHR
SCHEMBL1801540 0.81 CYP2D6 (0.41) CXCR3SIGMAR1CCR5CHRM3CHRM2
SCHEMBL2940899 0.81 CYP2D6 (0.41) CXCR3SIGMAR1CCR5CHRM3CHRM2
SCHEMBL2940902 0.81 CYP2D6 (0.41) CXCR3SIGMAR1CCR5CHRM3CHRM2
SCHEMBL6616737 0.80 CXCR3 (0.69) CXCR3CCR5
Hydrochloric Acid SCHEMBL1800899 0.80 CYP2D6 (0.41) CXCR3SIGMAR1CCR5CHRM3CHRM2

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-7951815-B2 Substituted 1,4,8-triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2011-05-31 US disclosed
US-20070015784-A1 Subsitituted 1,4,8- triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2007-01-18 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-20070015784-A1 Subsitituted 1,4,8- triazaspiro [4,5]decan-2-one compounds SI, SSTR4, SLC10A2 CXCR3 4786/4885SIGMAR1 185/4885CCR5 4456/4885

“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.