SCHEMBL6359153

SCHEMBL6359153

N[C@@H]1c2cc([N+](=O)[O-])ccc2CC[C@H]1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.44
MEN1 O00255 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
GRIN2B Q13224 2/20 0.40
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
RAB9A P51151 1/20 0.40
TLR9 Q9NR96 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
ADRA2A P08913 1/20 0.40
PNMT P11086 1/20 0.40

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
SCHEMBL4870044 1.00 HSP90AA1 (0.44) HSP90AA1MEN1LMNAMAPTKMT2A
SCHEMBL4873492 1.00 HSP90AA1 (0.44) HSP90AA1MEN1LMNAMAPTKMT2A
SCHEMBL6575270 1.00 HSP90AA1 (0.44) HSP90AA1MEN1LMNAMAPTKMT2A
SCHEMBL6338945 0.92 MEN1 (0.47) HSP90AA1MEN1LMNAMAPTKMT2A
SCHEMBL6338942 0.92 MEN1 (0.47) HSP90AA1MEN1LMNAMAPTKMT2A
SCHEMBL6339170 0.92 MEN1 (0.47) HSP90AA1MEN1LMNAMAPTKMT2A
SCHEMBL16105229 0.85 CHRNB4 (0.48) HSP90AA1MEN1LMNAMAPTKMT2A
SCHEMBL2760982 0.85 CHRNB4 (0.48) HSP90AA1MEN1LMNAMAPTKMT2A
SCHEMBL2760561 0.85 CHRNB4 (0.48) HSP90AA1MEN1LMNAMAPTKMT2A
SCHEMBL1292952 0.85 CHRNB4 (0.48) HSP90AA1MEN1LMNAMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9738710-B2 Method of treating a patient for pain by administering an anti-ion channel antibody UCB BIOPHARMA SPRL (BE) 2017-08-22 US disclosed
US-9738710-B2 Method of treating a patient for pain by administering an anti-ion channel antibody UCB BIOPHARMA SPRL (BE) 2017-08-22 US disclosed
US-20160222107-A1 METHODS OF TREATING PAIN USING FUNCTION MODIFYING NAv1.7 ANTIBODIES UCB BIOPHARMA SPRL (BE) 2016-08-04 US disclosed
US-20160222107-A1 METHODS OF TREATING PAIN USING FUNCTION MODIFYING NAv1.7 ANTIBODIES UCB BIOPHARMA SPRL (BE) 2016-08-04 US disclosed
US-9266953-B2 Methods of treating pain using function modifying NAv1.7 antibodies UCB BIOPHARMA SPRL (BE) 2016-02-23 US disclosed
US-9266953-B2 Methods of treating pain using function modifying NAv1.7 antibodies UCB BIOPHARMA SPRL (BE) 2016-02-23 US disclosed
US-20150232553-A1 FUNCTION MODIFYING NAv1.7 ANTIBODIES UCB PHARMA S.A. (BE) 2015-08-20 US disclosed
US-20150232553-A1 FUNCTION MODIFYING NAv1.7 ANTIBODIES UCB PHARMA S.A. (BE) 2015-08-20 US disclosed
US-20150203571-A1 ANTIBODIES TO ION CHANNELS UCB BIOPHARMA SPRL (BE) 2015-07-23 US disclosed
US-20150203571-A1 ANTIBODIES TO ION CHANNELS UCB BIOPHARMA SPRL (BE) 2015-07-23 US disclosed
EP-1051394-B1 POTASSIUM CHANNEL INHIBITORS ICAGEN INC (US) 2004-04-28 EP disclosed
US-6429317-B1 MUSCARINIC RECEPTOR MODULATORS; CENTRAL NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS; SCHIZOPHRENIA ELI LILLY AND COMPANY 2002-08-06 US disclosed
US-6395735-B2 AN INDANE-LIKE COMPOUNDS WHICH CAN BE USEFUL FOR TREATING PSYCHOSIS AND OTHER CONDITIONS ASSOCIATED WITH MODULATION OF A MUSCARINIC RECEPTOR ELI LILLY AND COMPANY 2002-05-28 US disclosed
US-6333337-B1 THE TREATMENT OF CARDIAC ARRHYTHMIAS AND CELL PROLIFERATIVE DISORDERS ARE DESCRIBED. ICAGEN, INC. 2001-12-25 US disclosed
US-20010012848-A1 Pharmaceutical compounds HOLLINSHEAD SEAN PATRICK (US) 2001-08-09 US disclosed
EP-0971885-A4 PROCESS FOR PREPARING INDANE-LIKE COMPOUNDS LILLY CO ELI (US) 2001-03-07 EP disclosed
EP-1051394-A1 POTASSIUM CHANNEL INHIBITORS Icagen, Inc. (US) 2000-11-15 EP disclosed
EP-0971885-A1 PROCESS FOR PREPARING INDANE-LIKE COMPOUNDS ELI LILLY AND COMPANY (US) 2000-01-19 EP disclosed
WO-1999037607-A1 POTASSIUM CHANNEL INHIBITORS ICAGEN, INC. (US) 1999-07-29 WO disclosed
WO-1998031660-A1 PROCESS FOR PREPARING INDANE-LIKE COMPOUNDS ELI LILLY AND COMPANY (US) 1998-07-23 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 (4 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-20010012848-A1 Pharmaceutical compounds CHRM5, CHRM4, CHRM3 HSP90AA1 4749/4885MEN1 1772/4885LMNA 4711/4885
US-20150203571-A1 ANTIBODIES TO ION CHANNELS SCN1A, KCNAB1, KCNMA1 HSP90AA1 1729/4885MEN1 2129/4885LMNA 1851/4885
US-20160222107-A1 METHODS OF TREATING PAIN USING FUNCTION MODIFYING NAv1.7 ANTIBODIES SCN7A, SCN3A, SCN1A HSP90AA1 1912/4885MEN1 4300/4885LMNA 1524/4885
US-20150232553-A1 FUNCTION MODIFYING NAv1.7 ANTIBODIES SCN7A, SCN1A, SCN5A HSP90AA1 2425/4885MEN1 4069/4885LMNA 1459/4885

“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.