SCHEMBL3608812

SCHEMBL3608812

CC(C)(C)OC(=O)N1CCCN(CCN2c3ccccc3N(c3ccccc3F)S2(O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
ACKR3 P25106 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GRM5 P41594 1/20 0.39
GRM1 Q13255 1/20 0.39
MAPT P10636 3/20 0.38
TERT O14746 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
VCP P55072 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PARP1 P09874 1/20 0.37
CKS1B P61024 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
SCHEMBL4062472 0.96 CHRM2 (0.43) CHRM2CHRM4CHRM1CHRM3TP53
SCHEMBL3603717 0.93 CHRM2 (0.40) CHRM2CHRM4CHRM1CHRM3TP53
SCHEMBL3599868 0.92 PLK1 (0.41) CHRM2CHRM4CHRM1CHRM3TP53
SCHEMBL3608813 0.91 SLC6A2 (0.47) CHRM2CHRM4CHRM1CHRM3TP53
SCHEMBL4056542 0.90 CHRM2 (0.41) CHRM2CHRM4CHRM1CHRM3TP53
SCHEMBL3612242 0.89 ACKR3 (0.39) CHRM2CHRM4CHRM1CHRM3ACKR3
SCHEMBL3616317 0.89 GPR119 (0.43) CHRM2CHRM4CHRM1CHRM3TP53
SCHEMBL4056334 0.89 CHRM2 (0.42) CHRM2CHRM4CHRM1CHRM3TP53
SCHEMBL4059629 0.88 PLK1 (0.43) CHRM2CHRM4CHRM1CHRM3TP53
SCHEMBL3598862 0.87 CHRM2 (0.41) CHRM2CHRM4CHRM1CHRM3TP53

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-20100029641-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2010-02-04 US disclosed
US-7601722-B2 Aryl sulfamide derivatives and methods of their use WYETH (US) 2009-10-13 US disclosed
US-20080167303-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-10 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-20100029641-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 CHRM2 988/4885CHRM4 871/4885CHRM1 920/4885
US-20080167303-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 CHRM2 988/4885CHRM4 871/4885CHRM1 920/4885

“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.