SCHEMBL1807150

SCHEMBL1807150

O=C(O)C1(c2ccc(F)cc2)CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.66
HSD11B1 P28845 5/20 0.57
APP P05067 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TSHR P16473 1/20 0.51
HDAC1 Q13547 1/20 0.49
HDAC4 P56524 2/20 0.47
ALDH1A1 P00352 1/20 0.47
SLC6A3 Q01959 1/20 0.46
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL1421838 0.98 AKR1C1 (0.68) AKR1C1HSD11B1APPCYP3A4CYP2C9
Hydrochloric Acid SCHEMBL28577324 0.96 AKR1C1 (0.66) AKR1C1HSD11B1APPCYP3A4CYP2C9
SCHEMBL988946 0.94 AKR1C1 (0.62) AKR1C1HSD11B1APPCYP3A4CYP2C9
SCHEMBL301150 0.90 APP (0.61) AKR1C1HSD11B1APPCYP3A4CYP2C9
SCHEMBL11044295 0.83 HSD11B1 (0.52) AKR1C1HSD11B1HDAC1HDAC4ALDH1A1
SCHEMBL3842811 0.83 LMNA (0.55) AKR1C1HSD11B1MEN1KMT2AHDAC1
SCHEMBL4809604 0.83 HSD11B1 (0.51) AKR1C1HSD11B1HDAC1HDAC4ALDH1A1
SCHEMBL1128270 0.82 AKR1C1 (0.68) AKR1C1HSD11B1APPCYP3A4CYP2C9
SCHEMBL19249602 0.82 AKR1C1 (0.96) AKR1C1HSD11B1MEN1KMT2ATSHR
SCHEMBL66387 0.82 AKR1C1 (0.96) AKR1C1HSD11B1MEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10562878-B2 Cycloalkylamines as monoamine reuptake inhibitors SUNOVION PHARAMCEUTICALS INC. (US) 2020-02-18 US disclosed
EP-2592071-B1 Tricyclic heterocyclic compounds BRISTOL MYERS SQUIBB CO (US) 2019-09-18 EP disclosed
US-9868718-B2 Cycloalkylamines as monoamine reuptake inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2018-01-16 US disclosed
US-9868718-B2 Cycloalkylamines as monoamine reuptake inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2018-01-16 US disclosed
US-9868718-B2 Cycloalkylamines as monoamine reuptake inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2018-01-16 US disclosed
CN-101394847-B Cycloalkylamines as monoamine reuptake inhibitors 塞普拉柯公司 2017-05-24 CN disclosed
EP-1976513-B1 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SUNOVION PHARMACEUTICALS INC (US) 2016-08-24 EP disclosed
US-9216972-B2 Tricyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-22 US disclosed
CN-102686571-B tricyclic heterocyclic compounds BRISTOL-MYERS SQUIBB CO. (US) 2015-11-25 CN disclosed
US-20150126511-A1 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SUNOVION PHARMACEUTICALS INC. 2015-05-07 US disclosed
US-20040072880-A1 Cycloalkyl inhibitors of potassium channel function ICAGEN, INC. 2004-04-15 US disclosed
US-20040073036-A1 Substituted alkyl amido piperidines SYNAPTIC PHARMACEUTICAL CORPORATION 2004-04-15 US 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
WO-2004004714-A1 SPIROCYCLIC PIPERIDINES AS MCH1 ANTAGONISTS AND USES THEREOF H. LUNDBECK A/S (DK) 2004-01-15 WO disclosed
WO-2003063797-A2 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-08-07 WO 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
EP-0272580-A2 Liquidcrystalline cyclohexylbenzene derivatives their manufacturing and novel nematic admixtures containing same Wojskowa Akademia Techniczna im. Jaroslawa Dabrowskiego (PL) 1988-06-29 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 (5 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-20150126511-A1 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 AKR1C1 3418/4885HSD11B1 919/4885APP 489/4885
US-20040073036-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R AKR1C1 701/4885HSD11B1 1080/4885APP 3296/4885
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 AKR1C1 2520/4885HSD11B1 1340/4885APP 432/4885
US-10562878-B2 Cycloalkylamines as monoamine reuptake inhibitors SLC18A2, SLC6A2, SLC18A3 AKR1C1 3418/4885HSD11B1 919/4885APP 489/4885
US-20040072880-A1 Cycloalkyl inhibitors of potassium channel function KCNN1, KCNN2, KCNH2 AKR1C1 1699/4885HSD11B1 4164/4885APP 2011/4885

“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.