SCHEMBL3833561

SCHEMBL3833561

CN(C1CC1)[C@H]1CCNC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 16/20 0.37
SLC6A2 P23975 14/20 0.37
SLC6A3 Q01959 9/20 0.37
KCNH2 Q12809 4/20 0.36
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
CYP2D6 P10635 2/20 0.31

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
SCHEMBL3832520 1.00 SLC6A4 (0.37) SLC6A4SLC6A2SLC6A3KCNH2NOS3
SCHEMBL13567753 1.00 SLC6A4 (0.37) SLC6A4SLC6A2SLC6A3KCNH2NOS3
SCHEMBL8442588 0.91 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
SCHEMBL1009314 0.87 SLC6A2 (0.32) SLC6A4SLC6A2SLC6A3NOS3NOS1
SCHEMBL2199790 0.85 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
SCHEMBL2199793 0.85 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
SCHEMBL2204531 0.85 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
Hydrochloric Acid SCHEMBL4796823 0.84 HTR2C (0.31) SLC6A4SLC6A2NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL16108942 0.84 NOS2 (0.35) NOS3NOS1NOS2CYP2D6
Hydrochloric Acid SCHEMBL16109201 0.84 NOS2 (0.35) NOS3NOS1NOS2CYP2D6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312310-A1 Imidazothiazole derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-12-17 US disclosed
US-20090312310-A1 Imidazothiazole derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-12-17 US disclosed
US-20090312310-A1 Imidazothiazole derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-12-17 US disclosed
EP-2103619-A1 IMIDAZOTHIAZOLE DERIVATIVES Daiichi Sankyo Company, Limited (JP) 2009-09-23 EP 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-20090312310-A1 Imidazothiazole derivatives TP53, MDM2, TP53BP1 SLC6A4 4784/4885SLC6A2 4884/4885SLC6A3 4833/4885

“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.