SCHEMBL682805

SCHEMBL682805

Cn1c(=O)c2c(ncn2CCCN2CCCN(Cc3ccc([N+](=O)[O-])cc3)CC2)n(C)c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.53
HTR6 P50406 1/20 0.53
HTR1A P08908 3/20 0.53
CHRM1 P11229 3/20 0.53
DRD2 P14416 3/20 0.53
ADRA1D P25100 3/20 0.53
ADRA1A P35348 3/20 0.53
ADRA1B P35368 3/20 0.53
RXFP1 Q9HBX9 3/20 0.53
MAPT P10636 2/20 0.53
ADORA2B P29275 4/20 0.51
LMNA P02545 2/20 0.50
MAPK1 P28482 2/20 0.50
TSHR P16473 1/20 0.48
ABCC8 Q09428 1/20 0.48
KCNJ11 Q14654 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HTT P42858 1/20 0.47
UBE2N P61088 1/20 0.47
CCR2 P41597 1/20 0.46

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
SCHEMBL10897189 0.98 HTR7 (0.55) HTR7HTR6HTR1ACHRM1DRD2
SCHEMBL684347 0.88 LMNA (0.67) HTR7HTR6HTR1ACHRM1DRD2
SCHEMBL684013 0.87 HTR1A (0.69) HTR7HTR6HTR1ACHRM1DRD2
SCHEMBL683634 0.86 HTR7 (0.67) HTR7HTR6HTR1ACHRM1DRD2
SCHEMBL10896398 0.85 LMNA (0.67) HTR7HTR6HTR1ACHRM1DRD2
SCHEMBL10896463 0.85 RXFP1 (0.60) HTR7HTR6HTR1ACHRM1DRD2
SCHEMBL10896210 0.85 HTR1A (0.67) HTR7HTR6HTR1ACHRM1DRD2
SCHEMBL684348 0.84 SMN1; SMN2 (0.69) HTR7HTR6HTR1ACHRM1DRD2
Hydrochloric Acid SCHEMBL10896818 0.83 SMN1; SMN2 (0.68) HTR7HTR6HTR1ACHRM1DRD2
Hydrochloric Acid SCHEMBL10899529 0.83 SMN1; SMN2 (0.68) HTR7HTR6HTR1ACHRM1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 US disclosed
US-4599414-A ANTHISTAMINES, VASODILATORS EISAI CO., LTD. (JP) 1986-07-08 US disclosed
EP-0023350-A1 Theophylline derivatives, a process for the preparation of the same and a therapeutical composition Eisai Co., Ltd. (JP) 1981-02-04 EP 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-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF HTR7 1398/4885HTR6 683/4885HTR1A 1265/4885

“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.