SCHEMBL3777655

SCHEMBL3777655

c1ccc(CN2C[C@@H]3CCNC[C@H]3C2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.50
FUCA1 P04066 2/20 0.47
DRD2 P14416 2/20 0.44
DRD3 P35462 2/20 0.44
ACHE P22303 3/20 0.44
BCHE P06276 2/20 0.44
BACE1 P56817 2/20 0.44
CYP2C19 P33261 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MEN1 O00255 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 1/20 0.43
GRIN2B Q13224 1/20 0.43

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
SCHEMBL928351 1.00 SIGMAR1 (0.50) SIGMAR1FUCA1DRD2DRD3ACHE
SCHEMBL3784554 1.00 SIGMAR1 (0.50) SIGMAR1FUCA1DRD2DRD3ACHE
SCHEMBL12620778 0.92 SIGMAR1 (0.59) SIGMAR1FUCA1DRD2DRD3ACHE
SCHEMBL12620702 0.91 SIGMAR1 (0.47) SIGMAR1FUCA1DRD2DRD3ACHE
SCHEMBL10153141 0.89 ACHE (0.51) SIGMAR1DRD2DRD3ACHEBCHE
SCHEMBL653224 0.88 FUCA1 (0.55) SIGMAR1FUCA1DRD2DRD3GRIN2B
SCHEMBL477142 0.88 FUCA1 (0.55) SIGMAR1FUCA1DRD2DRD3GRIN2B
Hydrochloric Acid SCHEMBL2264027 0.86 FUCA1 (0.53) SIGMAR1FUCA1DRD2DRD3GRIN2B
Hydrochloric Acid SCHEMBL3018917 0.86 FUCA1 (0.53) SIGMAR1FUCA1DRD2DRD3GRIN2B
SCHEMBL12181407 0.83 ACHE (0.44) SIGMAR1FUCA1DRD2DRD3ACHE

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-20100331294-A1 4-SUBSTITUTED-2-AMINO-PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2010-12-30 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-20100331294-A1 4-SUBSTITUTED-2-AMINO-PYRIMIDINE DERIVATIVES HRH2, HRH4, HRH3 SIGMAR1 227/4885FUCA1 4045/4885DRD2 319/4885

“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.