SCHEMBL16404602

SCHEMBL16404602

c1ccc2c(c1)ncn2CC1CC1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.62
LMNA P02545 3/20 0.62
TSHR P16473 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
TDP1 Q9NUW8 1/20 0.61
CYP11B1 P15538 6/20 0.56
CYP11B2 P19099 6/20 0.56
GABRG2 P18507 1/20 0.55
GABRB3 P28472 1/20 0.55
GABRA5 P31644 1/20 0.55
TNF P01375 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.51
ADRA2A P08913 1/20 0.50
MAPK1 P28482 1/20 0.50
EGLN3 Q9H6Z9 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL21883050 0.93 HTT (0.72) HTTLMNATSHRNPSR1TDP1
SCHEMBL12767959 0.92 HTT (0.75) HTTLMNATSHRNPSR1TDP1
SCHEMBL4767798 0.89 HTT (0.55) HTTLMNATSHRNPSR1TDP1
SCHEMBL31196392 0.87 EGLN3 (0.52) HTTLMNATSHRNPSR1TDP1
SCHEMBL13952314 0.86 TDP1 (0.61) HTTLMNATSHRNPSR1TDP1
SCHEMBL21820621 0.83 HTT (0.52) HTTLMNATSHRNPSR1TDP1
SCHEMBL1581991 0.83 CCR5 (0.52) HTTLMNATSHRNPSR1TDP1
SCHEMBL31196390 0.83 HTT (0.46) HTTLMNATSHRNPSR1TDP1
SCHEMBL2544813 0.81 LMNA (0.57) HTTLMNATSHRNPSR1TDP1
SCHEMBL23499140 0.80 TDP1 (0.54) HTTLMNATSHRNPSR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180086747-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2018-03-29 US disclosed
EP-2429993-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INT (DE) 2015-01-21 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-20180086747-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, AKT3, TNNI3K HTT 1422/4885LMNA 1683/4885TSHR 838/4885

“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.