SCHEMBL17603850

SCHEMBL17603850

O=C1NCC[C@H](c2ccc(Cl)cc2)N1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 7/20 0.41
SLC6A2 P23975 7/20 0.41
SLC6A4 P31645 2/20 0.41
HTR3A P46098 1/20 0.41
ALDH1A1 P00352 2/20 0.37
TP53 P04637 1/20 0.36
MDM2 Q00987 1/20 0.36
TNKS2 Q9H2K2 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
SRD5A1 P18405 1/20 0.35
SLC2A1 P11166 1/20 0.35

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
Hydrazine SCHEMBL17603742 0.97 SLC6A3 (0.39) SLC6A3SLC6A2SLC6A4HTR3AALDH1A1
SCHEMBL17117210 0.81 SMN1; SMN2 (0.41) ALDH1A1KMT2A
SCHEMBL17603824 0.79 HTR3A (0.41) SLC6A3SLC6A2SLC6A4HTR3AALDH1A1
SCHEMBL170771 0.74 HTR3A (0.50) SLC6A3SLC6A2SLC6A4HTR3A
SCHEMBL14458006 0.74 TP53 (0.51) SLC6A3SLC6A2SLC6A4HTR3AALDH1A1
SCHEMBL22201142 0.74 TP53 (0.51) SLC6A3SLC6A2SLC6A4HTR3AALDH1A1
SCHEMBL1499046 0.73 TP53 (0.41) SLC6A3SLC6A2SLC6A4ALDH1A1TP53
SCHEMBL21009133 0.71 TP53 (0.46) SLC6A3SLC6A2SLC6A4HTR3AALDH1A1
SCHEMBL4624667 0.71 SLC6A3 (0.45) SLC6A3SLC6A2SLC6A4HTR3AALDH1A1
SCHEMBL8442229 0.71 SLC6A3 (0.43) SLC6A3SLC6A2SLC6A4HTR3AALDH1A1

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-20160083400-A1 TRICYCLIC GUANIDINE DERIVATIVE SUNOVION PHARMACEUTICALS INC (US) 2016-03-24 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-20160083400-A1 TRICYCLIC GUANIDINE DERIVATIVE PDE3A, PDE2A, PDE5A SLC6A3 2505/4885SLC6A2 3176/4885SLC6A4 3154/4885

“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.