SCHEMBL4946642

SCHEMBL4946642

CC(C)Oc1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.51
CHRNA4 P43681 6/20 0.51
CHRNB4 P30926 2/20 0.51
CHRNA3 P32297 2/20 0.51
LMNA P02545 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
CYP3A4 P08684 2/20 0.49
CYP3A5 P20815 2/20 0.49
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTT P42858 1/20 0.44
BRAF P15056 1/20 0.42

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
SCHEMBL29854164 1.00 CHRNB2 (0.51) CHRNB2CHRNA4CHRNB4CHRNA3LMNA
Trifluoroacetic Acid SCHEMBL30901022 0.83 CYP3A4 (0.51) CHRNB2CHRNA4CHRNB4CHRNA3LMNA
SCHEMBL2485031 0.83 CHRNB2 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3LMNA
SCHEMBL28037256 0.83 CHRNB2 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3LMNA
SCHEMBL14477064 0.83 CHRNB2 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3LMNA
SCHEMBL1515202 0.83 CHRNB2 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3LMNA
SCHEMBL10915953 0.80 CHRNB2 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3LMNA
SCHEMBL12549630 0.80 CHRNB2 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3LMNA
SCHEMBL11911979 0.80 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3LMNA
SCHEMBL24261146 0.79 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080249142-A1 N-methyl-5-(5-isopropoxy-3-pyridinyl)-4-penten-2-amine p-hydroxybenzoate; compounds can activate nicotinic receptor and can modulate neurotransmitter secretion; neuroprotective agents; side effects reduction; pains; easy to remove impurities; heck coupling reaction; CNS disorders; inflammatory disorders TARGACEPT, INC. (US) 2008-10-09 US claimed
CN-101068784-A Hydroxybenzoate salts of metanicotine compounds TARGACEPT INC (US) 2007-11-07 CN claimed
EP-1814853-A2 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS Targacept, Inc. (US) 2007-08-08 EP claimed
WO-2006053039-A2 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS TARGACEPT, INC. (US) 2006-05-18 WO claimed
EP-0329360-B1 Pyridine derivatives ICI PLC (GB) 1994-08-03 EP claimed
US-5166213-A Antiischemic agents, cardiovascular disorders, antiasthmatics or antiinflammatory agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-11-24 US claimed
EP-0329360-A2 Pyridine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-08-23 EP claimed
EP-4318630-B1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS SECONDARY BATTERY ASAHI CHEMICAL IND (JP) 2025-10-22 EP disclosed
US-12199280-B2 Non-aqueous secondary battery and non-aqueous electrolyte ASAHI KASEI KABUSHIKI KAISHA (JP) 2025-01-14 US disclosed
EP-4081523-B1 SUBSTITUTED BICYCLIC PIPERIDINE DERIVATIVES USEFUL AS T CELL ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2024-12-25 EP disclosed
CN-114901660-B Substituted bicyclic compounds useful as T cell activators 百时美施贵宝公司 2024-10-15 CN disclosed
EP-4415105-A2 NON-AQUEOUS SECONDARY BATTERY AND NON-AQUEOUS ELECTROLYTE Asahi Kasei Kabushiki Kaisha (JP) 2024-08-14 EP disclosed
US-20240228478-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2024-07-11 US disclosed
US-5248780-A Thromboxane inhibitors IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1993-09-28 US disclosed
US-5166213-A Antiischemic agents, cardiovascular disorders, antiasthmatics or antiinflammatory agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-11-24 US disclosed
EP-0329360-A2 Pyridine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-08-23 EP disclosed
US-4631339-A 1,3,5-triazepinones ELI LILLY AND COMPANY (US) 1986-12-23 US disclosed
US-4514564-A 7β-(2'-(1\",3\",5\"-Triazepin-4\"-one)-2'-(oxime ether)-acetamido)-3-substituted cephalosporins ELI LILLY AND COMPANY (US) 1985-04-30 US disclosed
US-4436912-A 7-[2-(2-Aminooxazol-4-yl)-2-(oximino)acetamido cephalosporin antibiotics and intermediates therefor ELI LILLY AND COMPANY (US) 1984-03-13 US disclosed
US-4430499-A 7-[2-(2-Aminooxazol-4-yl)-2-(oximino)acetamido]cephalosporin antibiotics ELI LILLY AND COMPANY (US) 1984-02-07 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-12199280-B2 Non-aqueous secondary battery and non-aqueous electrolyte CLK2, TYK2, CLK3 CHRNB2 748/4885CHRNA4 1620/4885CHRNB4 1451/4885
US-20240228478-A1 COMPOUNDS AND METHODS OF USE F12, C1R, ABCG2 CHRNB2 3217/4885CHRNA4 2950/4885CHRNB4 3299/4885
US-20080249142-A1 N-methyl-5-(5-isopropoxy-3-pyridinyl)-4-penten-2-amine p-hydroxybenzoate; compounds can activate nicotinic receptor and can modulate neurotransmitter secretion; neuroprotective agents; side effects reduction; pains; easy to remove impurities; heck coupling reaction; CNS disorders; inflammatory disorders NTRK1, CHRNA10, CHRNB2 CHRNB2 3/4885CHRNA4 21/4885CHRNB4 5/4885

“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.