SCHEMBL14637293

SCHEMBL14637293

O=C1CCCN(c2ncc([N+](=O)[O-])cn2)C1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
ALDH1A1 P00352 4/20 0.47
LMNA P02545 2/20 0.47
ALOX12 P18054 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
ATM Q13315 1/20 0.37
CRBN Q96SW2 3/20 0.35
CYP2C19 P33261 1/20 0.34

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
SCHEMBL30136676 0.82 MAPT (0.57) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL4966461 0.82 MAPT (0.62) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL26633298 0.80 MAPT (0.63) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL3014047 0.75 KDM4E (0.42) MAPTALDH1A1LMNACYP1A2CYP2C19
SCHEMBL5820029 0.75 MAPT (0.65) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL3567484 0.71 SIRT6 (0.56) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL3386200 0.71 ALDH1A1 (0.65) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL14637103 0.71 HDAC6 (0.46) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL5820109 0.69 ALDH1A1 (0.71) MAPTALDH1A1LMNANPSR1MAPK1
SCHEMBL30933194 0.68 MAPT (0.41) MAPTALDH1A1LMNAALOX12NPSR1

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 12 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-8815909-B2 Diaminocyclohexane compounds and uses thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-26 US disclosed
US-8815909-B2 Diaminocyclohexane compounds and uses thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-26 US disclosed
US-8710049-B2 Diaminocyclohexane compounds and uses thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-29 US disclosed
US-20130184284-A1 DIAMINOCYCLOHEXANE COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2013-07-18 US disclosed
US-20130184284-A1 DIAMINOCYCLOHEXANE COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2013-07-18 US disclosed
US-20130184262-A1 DIAMINOCYCLOHEXANE COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2013-07-18 US disclosed
US-20130184262-A1 DIAMINOCYCLOHEXANE COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2013-07-18 US disclosed
US-20130184262-A1 DIAMINOCYCLOHEXANE COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2013-07-18 US disclosed
US-20130184284-A1 DIAMINOCYCLOHEXANE COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2013-07-18 US disclosed
WO-2013012829-A1 DIAMINOCYCLOHEXANE COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-24 WO disclosed
WO-2013012827-A1 DIAMINOCYCLOHEXANE COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-24 WO 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-20130184262-A1 DIAMINOCYCLOHEXANE COMPOUNDS AND USES THEREOF NPY4R, NPY2R, NPY1R MAPT 3425/4885ALDH1A1 3102/4885LMNA 3774/4885
US-20130184284-A1 DIAMINOCYCLOHEXANE COMPOUNDS AND USES THEREOF NPY4R, NPY2R, NPY1R MAPT 3425/4885ALDH1A1 3102/4885LMNA 3774/4885

“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.