SCHEMBL683634

SCHEMBL683634

Cn1c(=O)c2c(ncn2CCCN2CCCN(Cc3ccccc3)CC2)n(C)c1=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.67
HTR6 P50406 1/20 0.67
ADORA2B P29275 4/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
RXFP1 Q9HBX9 1/20 0.66
TSHR P16473 2/20 0.65
ALDH1A1 P00352 5/20 0.61
HTR1A P08908 4/20 0.58
CHRM1 P11229 3/20 0.58
DRD2 P14416 3/20 0.58
ADRA1D P25100 3/20 0.58
ADRA1A P35348 3/20 0.58
ADRA1B P35368 3/20 0.58
CHRM2 P08172 1/20 0.57
ALOX15 P16050 1/20 0.55
HSD17B10 Q99714 1/20 0.55
USP2 O75604 3/20 0.55
NPSR1 Q6W5P4 2/20 0.55
XBP1 P17861 1/20 0.54
HTT P42858 2/20 0.53

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
SCHEMBL10895834 0.92 TSHR (0.72) HTR7HTR6ADORA2BSMN1; SMN2RXFP1
SCHEMBL684347 0.91 LMNA (0.67) HTR7HTR6ADORA2BSMN1; SMN2RXFP1
SCHEMBL684342 0.90 SMN1; SMN2 (0.70) HTR7HTR6ADORA2BSMN1; SMN2RXFP1
SCHEMBL4461767 0.90 ADORA2B (0.73) HTR7HTR6ADORA2BSMN1; SMN2RXFP1
SCHEMBL684013 0.90 HTR1A (0.69) HTR7HTR6ADORA2BSMN1; SMN2RXFP1
SCHEMBL10896398 0.89 LMNA (0.67) HTR7HTR6ADORA2BSMN1; SMN2RXFP1
SCHEMBL10896463 0.88 RXFP1 (0.60) HTR7HTR6ADORA2BSMN1; SMN2RXFP1
SCHEMBL684338 0.88 HTR7 (0.60) HTR7HTR6ADORA2BSMN1; SMN2RXFP1
SCHEMBL10896210 0.88 HTR1A (0.67) HTR7HTR6ADORA2BSMN1; SMN2RXFP1
SCHEMBL684348 0.87 SMN1; SMN2 (0.69) HTR7HTR6ADORA2BSMN1; SMN2RXFP1

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 683/4885ADORA2B 786/4885

“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.