SCHEMBL16596173

SCHEMBL16596173

CCCCCCCCCCCC(=O)N1CCN(c2ccncc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.62
ITGA2B P08514 6/20 0.62
MAPT P10636 4/20 0.60
LMNA P02545 2/20 0.60
NPSR1 Q6W5P4 1/20 0.60
CNR1 P21554 2/20 0.56
CNR2 P34972 1/20 0.56
CHRM1 P11229 1/20 0.55
ESR1 P03372 1/20 0.53
GNAI3 P08754 1/20 0.52
GNAI1 P63096 1/20 0.52
HTR1A P08908 1/20 0.52
HTR7 P34969 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
HDAC1 Q13547 1/20 0.51
MMP2 P08253 1/20 0.51
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL6600563 0.88 MAPT (0.62) ITGB3ITGA2BMAPTLMNANPSR1
SCHEMBL13080421 0.86 MAPT (0.82) MAPTLMNANPSR1CNR1CNR2
SCHEMBL7696482 0.86 MAPT (0.82) MAPTLMNANPSR1CNR1CNR2
SCHEMBL9565881 0.86 MAPT (0.82) MAPTLMNANPSR1CNR1CNR2
SCHEMBL10726722 0.86 MAPT (0.82) MAPTLMNANPSR1CNR1CNR2
SCHEMBL7698031 0.86 MAPT (0.82) MAPTLMNANPSR1CNR1CNR2
SCHEMBL8776300 0.84 MAPT (0.61) ITGB3ITGA2BMAPTLMNANPSR1
SCHEMBL27857404 0.83 MAPT (0.64) MAPTLMNANPSR1CNR1CNR2
SCHEMBL14895098 0.83 CNR1 (0.59) MAPTLMNANPSR1CNR1CNR2
SCHEMBL8543870 0.80 ITGB3 (0.53) ITGB3ITGA2BMAPTLMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9751851-B2 Molecules and compositions that inhibit gram negative bacteria and their uses THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2017-09-05 US disclosed
US-9751851-B2 Molecules and compositions that inhibit gram negative bacteria and their uses THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2017-09-05 US disclosed
US-20160368892-A1 MOLECULES AND COMPOSITIONS THAT INHIBIT GRAM NEGATIVE BACTERIA AND THEIR USES THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2016-12-22 US disclosed
US-20160368892-A1 MOLECULES AND COMPOSITIONS THAT INHIBIT GRAM NEGATIVE BACTERIA AND THEIR USES THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2016-12-22 US disclosed
WO-2015042363-A1 MOLECULES AND COMPOSITIONS THAT INHIBIT GRAM NEGATIVE BACTERIA AND THEIR USES THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2015-03-26 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 (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-20160368892-A1 MOLECULES AND COMPOSITIONS THAT INHIBIT GRAM NEGATIVE BACTERIA AND THEIR USES BLVRB, PGLS, GRHPR ITGB3 3465/4885ITGA2B 3731/4885MAPT 4618/4885

“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.