SCHEMBL2867660

SCHEMBL2867660

O=C(O)C1(c2ccccc2F)CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 8/20 0.65
AKR1C1 Q04828 1/20 0.58
P2RX7 Q99572 1/20 0.45
PSEN1 P49768 2/20 0.44
PSEN2 P49810 2/20 0.44
APH1B Q8WW43 2/20 0.44
NCSTN Q92542 2/20 0.44
APH1A Q96BI3 2/20 0.44
PSENEN Q9NZ42 2/20 0.44
ELOVL1 Q9BW60 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
GAA P10253 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 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
SCHEMBL29567033 1.00 HDAC4 (0.65) HDAC4AKR1C1P2RX7PSEN1PSEN2
SCHEMBL3184587 0.98 HDAC4 (0.67) HDAC4AKR1C1P2RX7PSEN1PSEN2
SCHEMBL31580968 0.98 HDAC4 (0.67) HDAC4AKR1C1P2RX7PSEN1PSEN2
SCHEMBL5637311 0.94 HDAC4 (0.62) HDAC4AKR1C1P2RX7ELOVL1MAPT
SCHEMBL30501854 0.94 HDAC4 (0.62) HDAC4AKR1C1P2RX7ELOVL1MAPT
SCHEMBL31125559 0.92 HDAC4 (0.59) HDAC4AKR1C1ELOVL1
SCHEMBL301133 0.92 HDAC4 (0.59) HDAC4AKR1C1ELOVL1
SCHEMBL5766858 0.84 HDAC4 (0.51) HDAC4AKR1C1ELOVL1MEN1KMT2A
SCHEMBL1627778 0.84 HDAC4 (0.51) HDAC4AKR1C1ELOVL1MAPTALDH1A1
SCHEMBL31382198 0.84 HDAC4 (0.51) HDAC4AKR1C1ELOVL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
EP-4225748-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
US-8338623-B2 N-{3-[(2,5-dimethylmorpholin-4-yl)carbonyl]-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl}hexahydro-2,5-methanopentalene-3a(1H)-carboxamide; CB2 receptors ligand; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants ABBVIE INC. (US) 2012-12-25 US disclosed
WO-2012164085-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-12-06 WO disclosed
EP-2253328-A1 Cycloalkyl inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2010-11-24 EP disclosed
EP-2176219-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2010-04-21 EP disclosed
US-20090018114-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-01-15 US disclosed
US-20060058282-A1 Carbamic acid compounds comprising an ester or ketone linkage as hdac inhibitors TOPOTARGET UK LIMITED (GB) 2006-03-16 US disclosed
US-20050234106-A1 Cycloalkyl inhibitors of potassium channel function LLOYD JOHN 2005-10-20 US disclosed
EP-1583736-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN ESTER OR KETONE LINKAGE AS HDAC INHIBITORS TopoTarget UK Limited (GB) 2005-10-12 EP disclosed
US-20040235913-A1 Thiazole and other heterocyclic ligands for mammalian dopamine, muscarinic and serotonin receptors and transporters, and methods of use thereof CUNY GREGORY D (US) 2004-11-25 US disclosed
WO-2004065354-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN ESTER OR KETONE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2004-08-05 WO disclosed
US-6699866-B2 FOR THERAPY OF ADDICTION, ANXIETY, DEPRESSION, SEXUAL DYSFUNCTION, HYPERTENSION, MIGRAINE, ALZHEIMER'S DISEASE, OBESITY, EMESIS, PSYCHOSIS, ANALGESIA, SCHIZOPHRENIA, PARKINSON'S DISEASE, RESTLESS LEG SYNDROME, SLEEPING DISORDERS SEPRACOR INC. 2004-03-02 US disclosed
US-20030105071-A1 Thiazole and other heterocyclic ligands for mammalian dopamine, muscarinic and serotonin receptors and transporters, and methods of use thereof SEPRACOR INC. 2003-06-05 US disclosed
WO-2002083863-A2 THIAZOLE AND OTHER HETEROCYCLIC LIGANDS AND USE THEREOF SEPRACOR, INC. (US) 2002-10-24 WO disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 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 (6 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-20060058282-A1 Carbamic acid compounds comprising an ester or ketone linkage as hdac inhibitors HDAC1, HDAC7, HDAC11 HDAC4 9/4885AKR1C1 211/4885P2RX7 4166/4885
US-20050234106-A1 Cycloalkyl inhibitors of potassium channel function KCNJ2, KCNN3, KCNQ5 HDAC4 1442/4885AKR1C1 1009/4885P2RX7 930/4885
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B HDAC4 1752/4885AKR1C1 3441/4885P2RX7 752/4885
US-20040235913-A1 Thiazole and other heterocyclic ligands for mammalian dopamine, muscarinic and serotonin receptors and transporters, and methods of use thereof HTR5A, OPRL1, HTR2C HDAC4 3670/4885AKR1C1 2520/4885P2RX7 528/4885
US-20030105071-A1 Thiazole and other heterocyclic ligands for mammalian dopamine, muscarinic and serotonin receptors and transporters, and methods of use thereof HTR5A, OPRL1, HTR2C HDAC4 3670/4885AKR1C1 2520/4885P2RX7 528/4885
US-20090018114-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 HDAC4 2755/4885AKR1C1 1495/4885P2RX7 340/4885

“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.