SCHEMBL6507627

SCHEMBL6507627

C[C@@H](NC1=NC(=O)C(CC(=O)N2CCCc3ccccc32)S1)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 4/20 0.46
TSHR P16473 3/20 0.46
POLB P06746 2/20 0.43
CHRM2 P08172 2/20 0.42
CHRM4 P08173 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM3 P20309 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL6428159 1.00 GRM7 (0.46) GRM7TSHRPOLBCHRM2CHRM4
SCHEMBL6426299 0.86 GRM7 (0.46) GRM7TSHRPOLBSMN1; SMN2NPSR1
SCHEMBL6500660 0.86 TSHR (0.53) GRM7TSHRPOLBCHRM2CHRM4
SCHEMBL6502545 0.86 TSHR (0.53) GRM7TSHRPOLBCHRM2CHRM4
SCHEMBL6506436 0.86 TSHR (0.53) GRM7TSHRPOLBCHRM2CHRM4
SCHEMBL6508183 0.84 ALDH1A1 (0.50) POLBSMN1; SMN2NPSR1KDM4EALDH1A1
SCHEMBL6499328 0.84 ALDH1A1 (0.50) POLBSMN1; SMN2NPSR1KDM4EALDH1A1
SCHEMBL1605788 0.83 TSHR (0.46) GRM7TSHRPOLBSMN1; SMN2NPSR1
SCHEMBL6426935 0.82 SMN1; SMN2 (0.51) TSHRSMN1; SMN2NPSR1ALDH1A1MEN1
SCHEMBL6428624 0.81 GRM7 (0.45) GRM7TSHRSMN1; SMN2NPSR1ALDH1A1

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-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US claimed
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 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-20050239853-A1 New compounds HSD11B1, CYP11B1, HSD3B1 GRM7 3318/4885TSHR 2078/4885POLB 1038/4885

“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.