SCHEMBL447762

SCHEMBL447762

CN1CCC[C@@H]1COc1cc(N)cc(C(F)(F)F)c1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 4/20 0.60
CHRNA3 P32297 4/20 0.60
CHRNB1 P11230 2/20 0.60
CHRNB2 P17787 2/20 0.60
CHRNB3 Q05901 2/20 0.60

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
SCHEMBL447049 1.00 CHRNB4 (0.60) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
SCHEMBL450027 1.00 CHRNB4 (0.60) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
SCHEMBL24565690 0.96 CHRNB4 (0.56) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
SCHEMBL24565689 0.96 CHRNB4 (0.56) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
SCHEMBL24565686 0.96 CHRNB4 (0.56) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
SCHEMBL15037237 0.86 CHRNB4 (0.61) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
SCHEMBL13867982 0.86 CHRNB4 (0.61) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
SCHEMBL15032896 0.86 CHRNB4 (0.65) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
SCHEMBL25594625 0.86 CHRNB4 (0.65) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
SCHEMBL6521793 0.85 CHRNB1 (0.45) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167110-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS SCHRÖDINGER, INC. 2023-06-01 US disclosed
WO-2023086319-A1 6-HE TERO ARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. (US) 2023-05-19 WO disclosed
WO-2022140527-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. (US) 2022-06-30 WO disclosed
CN-114478366-A Pyridone derivative and application thereof in medicine 海思科医药集团股份有限公司 2022-05-13 CN disclosed
EP-2600874-B1 PYRIMIDINE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC (US) 2015-03-04 EP disclosed
US-8716281-B2 Pyrimidine compounds that inhibit anaplastic lymphoma kinase AMGEN INC. (US) 2014-05-06 US disclosed
US-8716281-B2 Pyrimidine compounds that inhibit anaplastic lymphoma kinase AMGEN INC. (US) 2014-05-06 US disclosed
US-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2013-10-17 US disclosed
EP-1537084-B1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC (US) 2013-08-21 EP disclosed
US-20040204437-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2004-10-14 US disclosed
US-20040087568-A1 Substituted anthranilic amide derivatives and methods of use AMGEN INC. 2004-05-06 US disclosed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 US disclosed
EP-1358161-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Amgen Inc. (US) 2003-11-05 EP disclosed
US-20030203922-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-30 US disclosed
US-20030195230-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-16 US disclosed
US-20030134836-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2003-07-17 US disclosed
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-07-03 US disclosed
US-20020147198-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2002-10-10 US disclosed
WO-2002055501-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMGEN INC (US) 2002-07-18 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 (10 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-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC CHRNB4 3031/4885CHRNA3 2615/4885CHRNB1 1732/4885
US-20040204437-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR CHRNB4 4141/4885CHRNA3 4231/4885CHRNB1 3200/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO CHRNB4 3504/4885CHRNA3 2996/4885CHRNB1 2153/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO CHRNB4 3455/4885CHRNA3 2850/4885CHRNB1 2042/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR CHRNB4 4141/4885CHRNA3 4231/4885CHRNB1 3200/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 CHRNB4 3520/4885CHRNA3 3218/4885CHRNB1 2269/4885
US-20040087568-A1 Substituted anthranilic amide derivatives and methods of use AADAC, ASPH, EGLN3 CHRNB4 4878/4885CHRNA3 4833/4885CHRNB1 4810/4885
US-20230167110-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS JAK2, JAK3, STAT5B CHRNB4 4841/4885CHRNA3 4746/4885CHRNB1 4779/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR CHRNB4 4141/4885CHRNA3 4231/4885CHRNB1 3200/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 CHRNB4 3520/4885CHRNA3 3218/4885CHRNB1 2269/4885

“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.