SCHEMBL684054

SCHEMBL684054

Cn1c(=O)c2c(ncn2CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)n(C)c1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.62
CHRM1 P11229 4/20 0.62
ADRA1A P35348 4/20 0.62
DRD2 P14416 3/20 0.62
ADRA1D P25100 3/20 0.62
ADRA1B P35368 3/20 0.62
HTR2A P28223 3/20 0.55
MAPK1 P28482 2/20 0.54
LMNA P02545 2/20 0.54
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
RXFP1 Q9HBX9 2/20 0.53
ADORA2B P29275 1/20 0.53
HTR7 P34969 1/20 0.50
HTR6 P50406 1/20 0.50
POLB P06746 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GLA P06280 1/20 0.48
HTT P42858 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
SCHEMBL684364 0.94 HTR1A (0.66) HTR1ACHRM1ADRA1ADRD2ADRA1D
SCHEMBL684015 0.86 LMNA (0.49) HTR1ACHRM1ADRA1ADRD2ADRA1D
SCHEMBL683710 0.84 HTR2A (0.73) HTR1ACHRM1ADRA1ADRD2ADRA1D
Hydrochloric Acid SCHEMBL2796668 0.81 HTR1A (0.61) HTR1ACHRM1ADRA1ADRD2ADRA1D
SCHEMBL682817 0.81 LMNA (0.62) DRD2MAPK1LMNASMN1; SMN2RXFP1
Hydroxyzine SCHEMBL7208301 0.80 HTR2A (0.66) HTR1ACHRM1ADRA1ADRD2ADRA1D
SCHEMBL683655 0.78 HTR7 (0.77) HTR1AHTR2AMAPK1LMNAKMT2A
SCHEMBL684006 0.78 CHRM2 (0.72) HTR1ACHRM1ADRA1ADRD2ADRA1D
SCHEMBL684356 0.78 HTR7 (0.58) MAPK1LMNASMN1; SMN2RXFP1ADORA2B
SCHEMBL684071 0.77 HTR2A (0.81) HTR1ACHRM1ADRA1ADRD2ADRA1D

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 1 patent. 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

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 HTR1A 1265/4885CHRM1 1036/4885ADRA1A 557/4885

“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.