SCHEMBL4433919

SCHEMBL4433919

COCCN(C)c1ccc(I)cc1N

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.38
SLC6A2 P23975 4/20 0.38
SLC6A3 Q01959 2/20 0.38
CRHR1 P34998 2/20 0.34
CYP3A4 P08684 1/20 0.33
DPP4 P27487 1/20 0.33
HRH4 Q9H3N8 2/20 0.32
GAA P10253 2/20 0.32
KMT2A Q03164 1/20 0.32
HDAC2 Q92769 1/20 0.32
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
SLC40A1 Q9NP59 1/20 0.30

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
SCHEMBL2850957 0.81 SLC6A2 (0.35) SLC6A4SLC6A2SLC6A3CRHR1
SCHEMBL29833014 0.81 ALDH1A1 (0.43) SLC6A4SLC6A2SLC6A3CRHR1CYP3A4
SCHEMBL1611476 0.75 HCAR3 (0.47) GAAMAPT
SCHEMBL1613564 0.74 DHFR (0.38) CYP3A4DPP4HRH4
SCHEMBL29833489 0.71 ALDH1A1 (0.43) SLC6A4SLC6A2SLC6A3CYP3A4GAA
SCHEMBL29833056 0.71 ALDH1A1 (0.43) SLC6A4SLC6A2SLC6A3CYP3A4GAA
SCHEMBL14320337 0.71 MAPT (0.46) CRHR1GAAMAPTMAPK1
SCHEMBL6816634 0.71 CYP3A4 (0.40) SLC6A4CRHR1CYP3A4DPP4KMT2A
SCHEMBL29833314 0.71 MAPT (0.46) CRHR1GAAMAPTMAPK1
SCHEMBL28512003 0.71 CYP3A4 (0.33) SLC6A4SLC6A2CRHR1CYP3A4DPP4

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-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 US disclosed
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 US disclosed
WO-2009158011-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2009-12-30 WO disclosed
WO-2009158011-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2009-12-30 WO 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-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS NFKBIA, MAP3K1, MAP3K2 SLC6A4 4772/4885SLC6A2 4538/4885SLC6A3 4515/4885

“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.