SCHEMBL683968

SCHEMBL683968

Cn1c(=O)c2c(ncn2CCN2CCN(C(=O)c3ccc(F)cc3)CC2)n(C)c1=O

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.61
HTR1A P08908 2/20 0.60
CHRM1 P11229 2/20 0.60
DRD2 P14416 2/20 0.60
ADRA1D P25100 2/20 0.60
ADRA1A P35348 2/20 0.60
ADRA1B P35368 2/20 0.60
RXFP1 Q9HBX9 4/20 0.56
ALDH1A1 P00352 1/20 0.52
TSHR P16473 1/20 0.52
ADORA2B P29275 5/20 0.51
LMNA P02545 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
HTR7 P34969 1/20 0.50
HTR6 P50406 1/20 0.50
MAPK1 P28482 1/20 0.48
MAPT P10636 1/20 0.48
KCNH2 Q12809 1/20 0.48

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
SCHEMBL682799 0.88 RXFP1 (0.60) RAB9AHTR1ACHRM1DRD2ADRA1D
Flufylline SCHEMBL684324 0.84 HTR2A (0.60) RAB9AHTR1ACHRM1DRD2ADRA1D
SCHEMBL4470996 0.80 ALDH1A1 (0.79) RXFP1ALDH1A1TSHRMAPK1MAPT
SCHEMBL10896108 0.79 HTR1A (0.50) RAB9AHTR1ACHRM1DRD2ADRA1D
Perbufylline SCHEMBL682795 0.79 HTR1A (0.61) RAB9AHTR1ACHRM1DRD2ADRA1D
Fluprofylline SCHEMBL683614 0.79 HTR1A (0.64) RAB9AHTR1ACHRM1DRD2ADRA1D
SCHEMBL17628698 0.78 RAB9A (0.66) RAB9ARXFP1TSHRL3MBTL1MAPK1
SCHEMBL10721910 0.78 HTR1A (0.60) RAB9AHTR1ACHRM1DRD2ADRA1D
SCHEMBL684335 0.78 LMNA (0.60) RXFP1ALDH1A1LMNAL3MBTL1MAPK1
SCHEMBL11155310 0.77 HTR7 (0.74) RAB9AHTR1ACHRM1DRD2ADRA1D

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 2 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-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 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-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF RAB9A 2603/4885HTR1A 1265/4885CHRM1 1036/4885

“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.