SCHEMBL21776756

SCHEMBL21776756

C#CCNCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.60
CHRM2 P08172 1/20 0.58
PYCR1 P32322 2/20 0.56
PTPRF P10586 1/20 0.50
PTPN2 P17706 1/20 0.50
PTPN1 P18031 1/20 0.50
PTPN11 Q06124 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA12 O43570 1/20 0.49
CA4 P22748 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45

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
SCHEMBL628651 0.83 CHRM2 (0.72) CHRM2PTPRFPTPN2PTPN1PTPN11
SCHEMBL21776818 0.83 CHRM2 (0.58) MAPTCHRM2PTPRFPTPN2PTPN1
SCHEMBL13527792 0.81 PYCR1 (0.79) CHRM2PYCR1MEN1KMT2ALOXL2
SCHEMBL1803792 0.80 CHRM2 (0.64) MAPTCHRM2PTPRFPTPN2PTPN1
SCHEMBL11597593 0.80 CHRM2 (0.79) CHRM2PTPRFPTPN2PTPN1PTPN11
Hydrochloric Acid SCHEMBL3168845 0.79 PYCR1 (0.76) MAPTCHRM2PYCR1MEN1KMT2A
Hydrochloric Acid SCHEMBL8365207 0.79 CHRM2 (0.62) MAPTCHRM2PTPRFPTPN2PTPN1
SCHEMBL1290510 0.77 CHRM2 (0.70) MAPTCHRM2PTPRFPTPN2PTPN1
SCHEMBL1041853 0.77 MEN1 (0.69) MAPTCHRM2PTPRFPTPN2PTPN1
SCHEMBL17187969 0.77 CHRM2 (0.64) MAPTCHRM2PTPRFPTPN2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11802108-B2 Compounds for the modulation of cyclophilins function THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2023-10-31 US disclosed
US-11802108-B2 Compounds for the modulation of cyclophilins function THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2023-10-31 US disclosed
US-11802108-B2 Compounds for the modulation of cyclophilins function THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2023-10-31 US disclosed
US-20210238130-A1 COMPOUNDS FOR THE MODULATION OF CYCLOPHILINS FUNCTION THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2021-08-05 US disclosed
US-20210238130-A1 COMPOUNDS FOR THE MODULATION OF CYCLOPHILINS FUNCTION THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2021-08-05 US disclosed
EP-3843841-A1 COMPOUNDS FOR THE MODULATION OF CYCLOPHILINS FUNCTION The University Court Of The University of Edinburgh (GB) 2021-07-07 EP disclosed
WO-2020043831-A1 COMPOUNDS FOR THE MODULATION OF CYCLOPHILINS FUNCTION THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2020-03-05 WO disclosed
WO-2020043831-A1 COMPOUNDS FOR THE MODULATION OF CYCLOPHILINS FUNCTION THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2020-03-05 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-11802108-B2 Compounds for the modulation of cyclophilins function CBR1, CBR3, PPIC MAPT 2951/4885CHRM2 884/4885PYCR1 105/4885
US-20210238130-A1 COMPOUNDS FOR THE MODULATION OF CYCLOPHILINS FUNCTION CBR1, CBR3, PPIC MAPT 2951/4885CHRM2 884/4885PYCR1 105/4885

“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.