SCHEMBL971790

SCHEMBL971790

COC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.65
ALOX15 P16050 1/20 0.65
ATM Q13315 1/20 0.65
HSD11B1 P28845 1/20 0.62
GPR119 Q8TDV5 1/20 0.51
KCNA3 P22001 1/20 0.50
OPRD1 P41143 4/20 0.49
OPRK1 P41145 4/20 0.49
TACR1 P25103 1/20 0.49
CYP3A4 P08684 2/20 0.48
CYP2C19 P33261 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 2/20 0.48
OPRM1 P35372 4/20 0.47
SLC22A1 O15245 1/20 0.47
SLC6A4 P31645 1/20 0.47
ADRA1A P35348 1/20 0.47
KCNH2 Q12809 1/20 0.47

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
SCHEMBL972474 0.88 TSHR (0.65) TSHRALOX15ATMHSD11B1GPR119
SCHEMBL31382726 0.87 TSHR (0.51) TSHRALOX15ATMHSD11B1GPR119
SCHEMBL31382020 0.87 TSHR (0.51) TSHRALOX15ATMHSD11B1MEN1
SCHEMBL26930433 0.87 TSHR (0.51) TSHRALOX15ATMHSD11B1GPR119
SCHEMBL654744 0.87 KMT2A (0.52) TSHRALOX15ATMHSD11B1MEN1
SCHEMBL31382005 0.87 GPR119 (0.53) TSHRALOX15ATMHSD11B1GPR119
SCHEMBL13543984 0.86 TSHR (0.64) TSHRALOX15ATMHSD11B1GPR119
SCHEMBL16130068 0.86 OPRM1 (0.67) TSHRALOX15ATMOPRD1OPRK1
SCHEMBL6543685 0.86 TSHR (0.70) TSHRALOX15ATMHSD11B1GPR119
SCHEMBL31382470 0.86 TSHR (0.50) TSHRALOX15ATMHSD11B1TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250092036-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING THE ACTIVITY OF ERK NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2025-03-20 US disclosed
WO-2025037229-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING THE ACTIVITY OF ERK NOVARTIS AG (CH) 2025-02-20 WO disclosed
EP-2570414-B1 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL MYERS SQUIBB CO (US) 2017-08-30 EP disclosed
US-9662323-B2 Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2017-05-30 US disclosed
US-8557841-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2013-10-15 US disclosed
US-8557841-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2013-10-15 US disclosed
US-20120252799-A1 HETEROCYCLIC AROMATIC COMPOUNDS USEFUL AS GROWTH HORMONE SECRETAGOGUES BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-04 US disclosed
US-8232291-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-31 US disclosed
US-20110224199-A1 Heterocyclic Aromatic Compounds Useful As Growth Hormone Secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-15 US disclosed
US-7977353-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-12 US disclosed
US-5885999-A TREATMENT OR PREVENTION OF PAIN, INFLAMMATION, MIGRAINE, EMESIS AND POSTHERPETIC NEURALGIA MERCK SHARP & DOHME LTD. (GB) 1999-03-23 US disclosed
US-5861416-A TREATMENT OF ASTHMA OR COUGH MERRELL PHARMACEUTICALS INC. (US) 1999-01-19 US disclosed
US-5824690-A TREATING ASTHMA, COUGH HOECHST MARION ROUSSEL INC. (US) 1998-10-20 US disclosed
EP-0696280-B1 SUBSTITUTED PYRROLIDIN-3-YL-ALKYL-PIPERIDINES USEFUL AS TACHYKININ ANTAGONISTS MERRELL PHARMA INC (US) 1997-09-24 EP disclosed
US-5661160-A ADMINISTERING AN ANTITUSSIVE AGENT FOR TREATING COUGH; TACHYKININ ANTAGONISM, SUBSTANCE P AND NEUROKININ A ANTAGONISM MERRELL PHARMACEUTICALS INC. (US) 1997-08-26 US disclosed
US-5648366-A TACHYKININ ANTAGONISTS USEFUL IN TREATING ASTHMA MERRELL PHARMACEUTICALS INC. (US) 1997-07-15 US disclosed
US-5635510-A TACHYKININ (ESPECIALLY SUBSTANCE P AND NEUROKININ A) ANTAGONISTS; ANTIINFLAMMATORY AGENTS, ANALGESICS; NERVOUS SYSTEM DISORDERS; BRONCHODILATOR AGENTS MERRELL PHARMACEUTICALS INC. (US) 1997-06-03 US disclosed
CN-1124961-A Substituted pyrrolidin-3-Yl-alkyl-piperidines useful as tachykinin antagonists MERRELL DOW PHARMA (US) 1996-06-19 CN disclosed
EP-0696280-A1 SUBSTITUTED PYRROLIDIN-3-YL-ALKYL-PIPERIDINES USEFUL AS TACHYKININ ANTAGONISTS MERRELL DOW PHARMA (US) 1996-02-14 EP disclosed
WO-1994026735-A1 SUBSTITUTED PYRROLIDIN-3-YL-ALKYL-PIPERIDINES USEFUL AS TACHYKININ ANTAGONISTS MERRELL DOW PHARMACEUTICALS INC. (US) 1994-11-24 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 (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-20250092036-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING THE ACTIVITY OF ERK MAPK1, MAP3K1, MAPK6 TSHR 3182/4885ALOX15 1785/4885ATM 760/4885
US-20110224199-A1 Heterocyclic Aromatic Compounds Useful As Growth Hormone Secretagogues GHSR, GHRHR, NPY1R TSHR 45/4885ALOX15 2593/4885ATM 1774/4885
US-20120252799-A1 HETEROCYCLIC AROMATIC COMPOUNDS USEFUL AS GROWTH HORMONE SECRETAGOGUES GHSR, GHRHR, NPY1R TSHR 45/4885ALOX15 2593/4885ATM 1774/4885

“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.