SCHEMBL15106924

SCHEMBL15106924

O=[N+]([O-])c1ccc(N2CCC[C@H](NC3CCCCC3Nc3ncc(-c4ccccc4)s3)C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.43
USP30 Q70CQ3 3/20 0.43
MAPT P10636 4/20 0.39
ALDH1A1 P00352 2/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
CNR2 P34972 1/20 0.39
TRPV1 Q8NER1 2/20 0.38
MKNK1 Q9BUB5 1/20 0.38
CPT1A P50416 1/20 0.37
MCHR1 Q99705 1/20 0.37
UCHL1 P09936 1/20 0.37
KMO O15229 1/20 0.37
MAPK1 P28482 1/20 0.36
POLB P06746 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SSTR1 P30872 1/20 0.36
SSTR3 P32745 1/20 0.36
HTR1A P08908 1/20 0.36

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
SCHEMBL15106737 1.00 PPARA (0.43) PPARAUSP30MAPTALDH1A1ALOX12
SCHEMBL14637888 1.00 PPARA (0.43) PPARAUSP30MAPTALDH1A1ALOX12
SCHEMBL15106435 0.84 USP30 (0.44) PPARAUSP30CNR2TRPV1MKNK1
SCHEMBL15106437 0.84 USP30 (0.44) PPARAUSP30CNR2TRPV1MKNK1
SCHEMBL15106309 0.84 USP30 (0.51) USP30CNR2MKNK1UCHL1
SCHEMBL15106310 0.84 USP30 (0.51) USP30CNR2MKNK1UCHL1
SCHEMBL15106155 0.81 MAPT (0.39) PPARAMAPTALDH1A1ALOX12HTT
SCHEMBL15106157 0.81 MAPT (0.39) PPARAMAPTALDH1A1ALOX12HTT
SCHEMBL15106579 0.81 MAPT (0.41) PPARAUSP30MAPTALDH1A1ALOX12
SCHEMBL14637711 0.81 MAPT (0.41) PPARAUSP30MAPTALDH1A1ALOX12

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-8815909-B2 Diaminocyclohexane compounds and uses thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-26 US disclosed
US-20130184284-A1 DIAMINOCYCLOHEXANE COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2013-07-18 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-20130184284-A1 DIAMINOCYCLOHEXANE COMPOUNDS AND USES THEREOF NPY4R, NPY2R, NPY1R PPARA 788/4885USP30 4747/4885MAPT 3425/4885

“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.