SCHEMBL14862575

SCHEMBL14862575

N[C@@H](c1ccccn1)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.44
SLC6A2 P23975 4/20 0.44
SLC6A3 Q01959 3/20 0.44
KCNA5 P22460 5/20 0.43
KCNE1 P15382 2/20 0.43
KCNH2 Q12809 1/20 0.41
TSHR P16473 1/20 0.39
FFAR2 O15552 1/20 0.39
CYP2D6 P10635 1/20 0.39
TP53 P04637 1/20 0.38
KDM4E B2RXH2 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
PI4KA P42356 1/20 0.37
PI4K2B Q8TCG2 1/20 0.37
PI4K2A Q9BTU6 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL29779604 1.00 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3KCNA5KCNE1
SCHEMBL29779595 1.00 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3KCNA5KCNE1
SCHEMBL2085504 1.00 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3KCNA5KCNE1
SCHEMBL14862093 1.00 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3KCNA5KCNE1
Hydrochloric Acid SCHEMBL16292918 0.98 SLC6A4 (0.42) SLC6A4SLC6A2SLC6A3KCNA5KCNE1
Hydrochloric Acid SCHEMBL4799050 0.98 SLC6A4 (0.42) SLC6A4SLC6A2SLC6A3KCNA5KCNE1
SCHEMBL20217280 0.92 KCNA5 (0.44) SLC6A4SLC6A2SLC6A3KCNA5KCNE1
SCHEMBL12789439 0.92 KCNA5 (0.44) SLC6A4SLC6A2SLC6A3KCNA5KCNE1
SCHEMBL14862495 0.92 KCNA5 (0.44) SLC6A4SLC6A2SLC6A3KCNA5KCNE1
Hydrochloric Acid SCHEMBL15400032 0.91 KCNA5 (0.43) SLC6A4SLC6A2SLC6A3KCNA5KCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2766352-B1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIV HEALTH NETWORK UHN (CA) 2018-06-06 EP disclosed
US-9580390-B2 Indazole compounds as kinase inhibitors and method of treating cancer with same UNIVERSITY HEALTH NETWORK (CA) 2017-02-28 US disclosed
US-8980934-B2 Kinase inhibitors and method of treating cancer with same UNIVERSITY HEALTH NETWORK (CA) 2015-03-17 US disclosed
US-20140371202-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2014-12-18 US disclosed
EP-2766352-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME University Health Network (UHN) (CA) 2014-08-20 EP disclosed
US-20140051679-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERISTY HEALTH NETWORKS (CA) 2014-02-20 US disclosed
US-20140005167-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORKS (CA) 2014-01-02 US disclosed
WO-2013053051-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2013-04-18 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 (3 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-20140005167-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME MAP3K7, MAP3K1, MAP3K20 SLC6A4 2987/4885SLC6A2 2706/4885SLC6A3 3033/4885
US-20140371202-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME PLK4, PLK2, PLK3 SLC6A4 3443/4885SLC6A2 4715/4885SLC6A3 4293/4885
US-20140051679-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME MAP3K7, MAP3K1, MAP3K20 SLC6A4 2987/4885SLC6A2 2706/4885SLC6A3 3033/4885

“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.