SCHEMBL12123712

SCHEMBL12123712

O=C1c2cc3ccccc3cc2SCC1CN1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.52
ACHE P22303 2/20 0.39
CHRNA7 P36544 8/20 0.37
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRND Q07001 1/20 0.36
KCNH2 Q12809 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
HTR1A P08908 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL14384890 0.87 METAP1 (0.39) METAP1ACHESIGMAR1
SCHEMBL12123719 0.80 METAP1 (0.44) METAP1HRH3
SCHEMBL12123714 0.76 SIGMAR1 (0.54) METAP1ACHESIGMAR1HTR1A
SCHEMBL12123718 0.75 METAP1 (0.51) METAP1ACHECHRNA7CHRNA1CHRNG
SCHEMBL9617722 0.70 METAP1 (0.45) METAP1ACHESIGMAR1HTR1A
SCHEMBL12123717 0.70 METAP1 (0.45) METAP1
SCHEMBL12123713 0.69 METAP1 (0.44) METAP1HRH3
SCHEMBL5471012 0.69 METAP1 (1.00) METAP1ACHESIGMAR1HTR1A
SCHEMBL14385121 0.68 GAA (0.37)
SCHEMBL9870672 0.67 HDAC1 (0.42) METAP1CHRNA7CHRNB2CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PHARMACYCLICS INC (US) 2015-10-15 US disclosed
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2014-03-20 US disclosed
US-20110281850-A1 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2011-11-17 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 (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-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK METAP1 1682/4885ACHE 4878/4885CHRNA7 4601/4885
US-20110281850-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK METAP1 1682/4885ACHE 4878/4885CHRNA7 4601/4885
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK METAP1 1682/4885ACHE 4878/4885CHRNA7 4601/4885

“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.