SCHEMBL600637

SCHEMBL600637

CCCO[C@H]1CC[C@H](N2CCC(N(C(=O)O)C(C)(C)C)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.35
CHRM1 P11229 2/20 0.33
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
ALOX15 P16050 1/20 0.32
POLB P06746 1/20 0.32
BCHE P06276 1/20 0.31
MLNR O43193 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HRH1 P35367 1/20 0.31
OPRM1 P35372 1/20 0.31
DRD3 P35462 1/20 0.31
OPRK1 P41145 1/20 0.31
HTR2B P41595 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KCNH2 Q12809 1/20 0.31
CACNA1C Q13936 1/20 0.31

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
SCHEMBL600638 1.00 TAAR1 (0.35) TAAR1CHRM1KDM4EALDH1A1ALOX15
SCHEMBL601803 1.00 TAAR1 (0.35) TAAR1CHRM1KDM4EALDH1A1ALOX15
SCHEMBL601629 0.91 CHRM1 (0.35) CHRM1KDM4EALDH1A1ALOX15POLB
SCHEMBL600683 0.91 CHRM1 (0.35) CHRM1KDM4EALDH1A1ALOX15POLB
SCHEMBL600684 0.91 CHRM1 (0.35) CHRM1KDM4EALDH1A1ALOX15POLB
SCHEMBL4660967 0.85 GPR119 (0.33) CHRM1KDM4EALDH1A1ALOX15POLB
SCHEMBL1306189 0.84 ALDH1A1 (0.35) KDM4EALDH1A1ALOX15POLBKCNH2
SCHEMBL4660815 0.83 CHRM1 (0.32) CHRM1BCHE
SCHEMBL600511 0.83 ACACB (0.32) CHRM1KDM4EALDH1A1MEN1KMT2A
SCHEMBL605131 0.80 CHRM4 (0.42) TAAR1CHRM1CHRM2CHRM3KCNH2

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-20120309789-A1 Compounds which have activity at M1 receptor and their uses in medicine GLAXO GROUP LIMITED 2012-12-06 US disclosed
US-20120041027-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED 2012-02-16 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 (2 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-20120041027-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE CHRM1, CHRM2, CHRM4 TAAR1 96/4885CHRM1 1/4885KDM4E 4221/4885
US-20120309789-A1 Compounds which have activity at M1 receptor and their uses in medicine CHRM1, CHRM2, CHRM5 TAAR1 160/4885CHRM1 1/4885KDM4E 4680/4885

“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.