SCHEMBL221216

SCHEMBL221216

c1ccc2oc(N3CCCNCC3)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.51
CHRNB2 P17787 1/20 0.50
CHRNA4 P43681 1/20 0.50
HTR6 P50406 5/20 0.49
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
MAPT P10636 1/20 0.48
SORD Q00796 1/20 0.48
NCF1 P14598 1/20 0.48
CHRNA7 P36544 1/20 0.48
HTR3A P46098 1/20 0.48
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46

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
SCHEMBL195554 0.94 HTR6 (0.53) ELANEHTR6LMNASMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL4058879 0.92 HTR6 (0.52) ELANEHTR6LMNASMN1; SMN2TSHR
SCHEMBL30903262 0.86 ELANE (0.57) ELANELMNASMN1; SMN2TSHRHTT
SCHEMBL31472604 0.86 ELANE (0.61) ELANELMNASMN1; SMN2TSHRHTT
SCHEMBL5021493 0.86 ELANE (0.61) ELANELMNASMN1; SMN2TSHRHTT
SCHEMBL2624458 0.84 SORD (0.58) ELANELMNASMN1; SMN2TSHRHTT
SCHEMBL5021503 0.84 ELANE (0.62) ELANELMNASMN1; SMN2TSHRHTT
SCHEMBL1981175 0.84 ELANE (0.62) ELANELMNASMN1; SMN2TSHRHTT
SCHEMBL3076019 0.83 FAAH (0.52) ELANEHTR6NCF1HTR3AGAA
SCHEMBL3081079 0.82 HTR6 (0.49) HTR6SMN1; SMN2NCF1HTR3A

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 112 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9157077-B2 Aminopyrimidine kinase inhibitors Jasco Pharmaceuticals, LLC (US) 2015-10-13 US disclosed
US-9157077-B2 Aminopyrimidine kinase inhibitors Jasco Pharmaceuticals, LLC (US) 2015-10-13 US disclosed
US-9157077-B2 Aminopyrimidine kinase inhibitors Jasco Pharmaceuticals, LLC (US) 2015-10-13 US disclosed
EP-2001485-B1 DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2015-09-09 EP disclosed
EP-2516425-B1 AMINOPYRIMIDINE KINASE INHIBITORS JASCO PHARMACEUTICALS LLC (US) 2015-09-02 EP disclosed
EP-2516425-B1 AMINOPYRIMIDINE KINASE INHIBITORS JASCO PHARMACEUTICALS LLC (US) 2015-09-02 EP disclosed
US-9073903-B2 Imidazole-2,4-dione inhibitors of casein kinase 1 Jasco Pharmaceuticals, LLC (US) 2015-07-07 US disclosed
US-9073903-B2 Imidazole-2,4-dione inhibitors of casein kinase 1 Jasco Pharmaceuticals, LLC (US) 2015-07-07 US disclosed
US-9073903-B2 Imidazole-2,4-dione inhibitors of casein kinase 1 Jasco Pharmaceuticals, LLC (US) 2015-07-07 US disclosed
US-20140275017-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2014-09-18 US disclosed
WO-2007019346-A1 BENZOTHIAZOLES AND THIAZOLOPYRIDINES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
WO-2007019346-A1 BENZOTHIAZOLES AND THIAZOLOPYRIDINES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
WO-2007019344-A1 IMIDAZO [2,1-B] THIAYOLE DERIVATIVES AS SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
WO-2007019344-A1 IMIDAZO [2,1-B] THIAYOLE DERIVATIVES AS SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
US-7045516-B1 Benzoxazole derivatives and drugs containing the same as the active ingredient KOICHI SHUDO (JP) 2006-05-16 US disclosed
EP-1134220-B1 BENZOXAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT SHUDO KOICHI (JP) 2004-08-18 EP disclosed
EP-0621271-B1 Benzoxazole derivatives and their use as serotonin 5-HT3 receptor antagonists MEIJI SEIKA KAISHA (JP) 2001-10-17 EP disclosed
EP-1134220-A1 BENZOXAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2001-09-19 EP disclosed
US-5631257-A ANTISEROTONIN AGENTS FOR TREATMENT OF NAUSEA AND ANTIEMETICS MEIJI SEIKA KAISHA, LTD. (JP) 1997-05-20 US disclosed
EP-0621271-A1 Benzoxazole derivatives and their use as serotonin 5-HT3 receptor antagonists MEIJI SEIKA KAISHA LTD. (JP) 1994-10-26 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-20140275017-A1 CGRP RECEPTOR ANTAGONISTS BDKRB1, CALCRL, BDKRB2 ELANE 1472/4885CHRNB2 119/4885CHRNA4 144/4885

“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.