SCHEMBL683657

SCHEMBL683657

Cn1cnc2c1c(=O)n(CN1CCN(c3cccc(C(F)(F)F)c3)CC1)c(=O)n2C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.51
DRD3 P35462 2/20 0.49
DRD5 P21918 1/20 0.49
TSHR P16473 1/20 0.48
HTR7 P34969 4/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
HTR2A P28223 1/20 0.46
POLB P06746 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
ABCB11 O95342 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CHRM1 P11229 1/20 0.45
DRD1 P21728 1/20 0.45
TBXA2R P21731 1/20 0.45
SLC6A4 P31645 1/20 0.45
ADRA1A P35348 1/20 0.45
OPRM1 P35372 1/20 0.45

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
SCHEMBL684026 0.86 MAPK1 (0.49) TSHRHTR7ALDH1A1MAPK1HTR2A
SCHEMBL683652 0.86 MAPK1 (0.55) TSHRALDH1A1MAPK1HTR2AHTR1A
SCHEMBL684023 0.85 HTR2A (0.58) TSHRHTR7ALDH1A1MAPK1HTR2A
SCHEMBL684068 0.85 ADORA2B (0.50) DRD2HTR7MAPK1HTR2ASIGMAR1
SCHEMBL684377 0.84 MAPK1 (0.47) HTR7ALDH1A1MAPK1HTR2A
SCHEMBL683612 0.84 HTR7 (0.57) DRD2DRD3DRD5TSHRHTR7
SCHEMBL683665 0.81 ADORA2B (0.47) TSHRMAPK1HTR2A
SCHEMBL683653 0.81 ADRA1D (0.52) DRD2DRD3TSHRMAPK1HTR2A
SCHEMBL682830 0.80 ADORA2B (0.50) TSHRHTR7ALDH1A1HTR2APOLB
SCHEMBL683640 0.79 HTR2A (0.51) TSHRMAPK1HTR2APOLBADORA3

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 DRD2 2428/4885DRD3 2020/4885DRD5 3037/4885

“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.