SCHEMBL9871561

SCHEMBL9871561

CC(C)(C)NCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.53
PTPRF P10586 1/20 0.53
PTPN2 P17706 1/20 0.53
PTPN1 P18031 1/20 0.53
PTPN11 Q06124 1/20 0.53
MAPT P10636 4/20 0.51
MEN1 O00255 2/20 0.51
LMNA P02545 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
IDO1 P14902 2/20 0.50
LOXL2 Q9Y4K0 1/20 0.50
TSHR P16473 1/20 0.47
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL13958843 0.88 MAPT (0.64) MAPTMEN1KMT2ARAB9AIDO1
SCHEMBL19750850 0.85 CHRM2 (0.62) CHRM2PTPRFPTPN2PTPN1PTPN11
SCHEMBL9969587 0.82 TSHR (0.53) CHRM2MAPTMEN1LMNAKMT2A
SCHEMBL7176354 0.82 PTPRF (0.50) CHRM2PTPRFPTPN2PTPN1PTPN11
SCHEMBL13958857 0.80 KMT2A (0.57) PTPN1MAPTMEN1LMNAKMT2A
SCHEMBL5839383 0.79 LTA4H (0.46) MAPTLMNAHTTRAB9ALOXL2
SCHEMBL7039579 0.79 ALDH1A1 (0.54) CHRM2PTPRFPTPN2PTPN1PTPN11
SCHEMBL1938300 0.79 CHRM2 (0.58) CHRM2PTPRFPTPN2PTPN1PTPN11
SCHEMBL628651 0.78 CHRM2 (0.72) CHRM2PTPRFPTPN2PTPN1PTPN11
Hydrochloric Acid SCHEMBL2955466 0.77 CHRM2 (0.56) CHRM2PTPRFPTPN2PTPN1PTPN11

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
CN-105566169-B A kind of method that nitrone is prepared by secondary amine 南阳师范学院 2017-08-01 CN claimed
US-9914740-B2 Tricyclic pyrido-carboxamide derivatives as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-13 US disclosed
US-9914740-B2 Tricyclic pyrido-carboxamide derivatives as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-13 US disclosed
CN-105566169-B A kind of method that nitrone is prepared by secondary amine 南阳师范学院 2017-08-01 CN disclosed
US-20160152628-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-06-02 US disclosed
US-5001233-A Synthesis of hydroxylamines using dioxiranes THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 1991-03-19 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-20160152628-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 CHRM2 1027/4885PTPRF 1013/4885PTPN2 378/4885

“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.