SCHEMBL376786

SCHEMBL376786

COC1(Cc2ccccc2Br)CCC(N2CCN(C(=O)OC(C)(C)C)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.45
ACACB O00763 1/20 0.42
ACACA Q13085 1/20 0.42
GPR119 Q8TDV5 4/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OGFRL1 Q5TC84 1/20 0.40
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
STS P08842 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 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
SCHEMBL376991 0.89 POLB (0.46) ACACBACACAGPR119OPRM1OPRD1
SCHEMBL376926 0.88 GPR119 (0.48) KDM1AACACBACACAGPR119OPRM1
SCHEMBL376500 0.88 MAPT (0.46) KDM1AACACBACACAGPR119OPRM1
SCHEMBL4818025 0.86 STS (0.47) ACACBACACAGPR119OPRM1OPRD1
SCHEMBL21383697 0.76 PKM (0.55) KDM1AGPR119KDM4EPKM
SCHEMBL376627 0.76 MAPT (0.43) KDM4EALDH1A1HRH3GAAMEN1
SCHEMBL21383899 0.75 KDM1A (0.48) KDM1AGPR119OPRD1KDM4EPKM
SCHEMBL8111261 0.75 GPR119 (0.49) KDM1AGPR119OPRD1KDM4EALDH1A1
SCHEMBL5199823 0.74 KDM1A (0.43) KDM1AGPR119KDM4EPKMALDH1A1
SCHEMBL29453750 0.73 KDM1A (0.46) KDM1AGPR119OPRD1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765778-B1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LAB (US) 2012-01-25 EP disclosed
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES 2010-02-11 US disclosed
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES 2010-02-11 US disclosed
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES 2010-02-11 US disclosed
US-7585858-B2 N-sulfonylcarboximidamide apoptosis promoters ABBOTT LABORATORIES (US) 2009-09-08 US disclosed
US-20050272744-A1 N-sulfonylcarboximidamide apoptosis promoters ABBVIE INC. 2005-12-08 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-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BAD KDM1A 1671/4885ACACB 602/4885ACACA 1295/4885
US-20050272744-A1 N-sulfonylcarboximidamide apoptosis promoters BAX, BCL2, BAD KDM1A 1671/4885ACACB 602/4885ACACA 1295/4885

“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.