SCHEMBL12123714

SCHEMBL12123714

O=C1c2cc3ccccc3cc2OCC1CN1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.54
HTR1A P08908 1/20 0.54
METAP1 P53582 2/20 0.52
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
SCN1A P35498 1/20 0.47
SCN2A Q99250 1/20 0.47
SCN3A Q9NY46 1/20 0.47
MAOB P27338 3/20 0.41
ACHE P22303 2/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL14384893 0.88 SIGMAR1 (0.53) SIGMAR1HTR1AMETAP1MAOBACHE
SCHEMBL12123717 0.81 METAP1 (0.45) METAP1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL10107781 0.81 SIGMAR1 (0.50) SIGMAR1HTR1AMETAP1ADRA2AADRA2B
SCHEMBL10661394 0.78 CYP19A1 (0.52) SIGMAR1HTR1AMETAP1ADRA2AADRA2B
SCHEMBL12123712 0.76 METAP1 (0.52) SIGMAR1HTR1AMETAP1ACHE
SCHEMBL12123718 0.75 METAP1 (0.51) SIGMAR1HTR1AMETAP1ACHELMNA
SCHEMBL12123719 0.69 METAP1 (0.44) METAP1LMNA
SCHEMBL12123713 0.69 METAP1 (0.44) METAP1LMNA
SCHEMBL14385098 0.69 GAA (0.39) LMNA
SCHEMBL14081617 0.69 SIGMAR1 (0.49) SIGMAR1HTR1AMETAP1ADRA2AADRA2B

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 SIGMAR1 4604/4885HTR1A 4740/4885METAP1 1682/4885
US-20110281850-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK SIGMAR1 4604/4885HTR1A 4740/4885METAP1 1682/4885
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK SIGMAR1 4604/4885HTR1A 4740/4885METAP1 1682/4885

“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.