SCHEMBL5452625

SCHEMBL5452625

O=C(C[C@H]1C[C@H]2CC[C@@H](C1)N2)c1cccc(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
ERCC5 P28715 1/20 0.46
FEN1 P39748 1/20 0.46
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
GRM5 P41594 2/20 0.44
P2RX7 Q99572 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PARP1 P09874 1/20 0.41
CHRNA7 P36544 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL5452623 1.00 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3ERCC5FEN1
SCHEMBL14410836 1.00 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3ERCC5FEN1
SCHEMBL5461459 0.85 HTR3E (0.46) SLC6A4SLC6A2SLC6A3HTR3EHTR3B
SCHEMBL5461455 0.85 HTR3E (0.46) SLC6A4SLC6A2SLC6A3HTR3EHTR3B
SCHEMBL5454981 0.82 HTR3E (0.46) SLC6A4SLC6A2SLC6A3ERCC5FEN1
SCHEMBL5454976 0.82 HTR3E (0.46) SLC6A4SLC6A2SLC6A3ERCC5FEN1
SCHEMBL5456646 0.82 CHRNA7 (0.54) SLC6A4SLC6A2SLC6A3HTR3EHTR3B
SCHEMBL5456649 0.82 CHRNA7 (0.54) SLC6A4SLC6A2SLC6A3HTR3EHTR3B
SCHEMBL5442986 0.82 HTR3E (0.46) SLC6A4SLC6A3HTR3EHTR3BHTR3A
SCHEMBL5442983 0.82 HTR3E (0.46) SLC6A4SLC6A3HTR3EHTR3BHTR3A

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-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 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-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF GIPR, GHSR, GHRHR SLC6A4 1446/4885SLC6A2 1034/4885SLC6A3 1022/4885

“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.