SCHEMBL3544939

SCHEMBL3544939

COc1ccc(N2CCC(=O)CC2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
HIF1A Q16665 5/20 0.51
ALDH1A1 P00352 2/20 0.50
HTR7 P34969 1/20 0.46
SIRT6 Q8N6T7 1/20 0.46
BRD9 Q9H8M2 2/20 0.45
CYP2C9 P11712 1/20 0.45
PKM P14618 1/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
USP2 O75604 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
MAOB P27338 1/20 0.44
NR3C1 P04150 1/20 0.44
PGR P06401 1/20 0.44
SLC6A4 P31645 1/20 0.44
KCNH2 Q12809 1/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 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
SCHEMBL9830621 0.90 MAOB (0.52) LMNAHIF1AALDH1A1HTR7BRD9
SCHEMBL27722423 0.87 DPP4 (0.46) LMNAHIF1AALDH1A1BRD9CYP2C9
SCHEMBL17893697 0.85 HTR2C (0.44) HIF1AALDH1A1
SCHEMBL17893825 0.85 KDM4E (0.46) LMNAHIF1AALDH1A1HTR7
SCHEMBL7492716 0.85 MAOB (0.44) LMNAHIF1AALDH1A1SIRT6PKM
SCHEMBL3228974 0.85 MAPT (0.49) LMNAALDH1A1
SCHEMBL17893801 0.85 LMNA (0.47) LMNAHIF1AALDH1A1SIRT6PKM
SCHEMBL310030 0.85 ALDH1A1 (0.47) LMNAHIF1AALDH1A1SIRT6PKM
SCHEMBL16432036 0.85 ALDH1A1 (0.47) LMNAHIF1AALDH1A1SIRT6MEN1
SCHEMBL17901911 0.84 HTR2C (0.43) LMNAHIF1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3240537-B1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2020-09-09 EP disclosed
EP-3240537-B1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2020-09-09 EP disclosed
CN-107108610-B Novel tetrahydropyridopyrimidine and tetrahydropyridopyridine compounds for the treatment and prophylaxis of hepatitis B virus infections 豪夫迈·罗氏有限公司 2019-06-04 CN disclosed
US-10196391-B2 Tetrahydropyridopyrimidines and tetrahydropyridopyridines for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2019-02-05 US disclosed
US-10196391-B2 Tetrahydropyridopyrimidines and tetrahydropyridopyridines for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2019-02-05 US disclosed
EP-3240537-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2017-11-08 EP disclosed
US-20170298067-A1 NOVEL TETRAHYDROPYRIDOPYIMIDINES AND TETRAHYDROPRIDOPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2017-10-19 US disclosed
US-20170298067-A1 NOVEL TETRAHYDROPYRIDOPYIMIDINES AND TETRAHYDROPRIDOPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2017-10-19 US disclosed
US-20170298067-A1 NOVEL TETRAHYDROPYRIDOPYIMIDINES AND TETRAHYDROPRIDOPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2017-10-19 US disclosed
CN-107108610-A Novel tetrahydropyridopyrimidine and tetrahydropyridopyridine compounds for the treatment and prophylaxis of hepatitis B virus infections 豪夫迈·罗氏有限公司 2017-08-29 CN disclosed
US-20100087485-A1 4-AMINOPIPERIDINE DERIVATIVES BOEHRINGER MARKUS 2010-04-08 US disclosed
US-7683079-B2 4-aminopiperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-03-23 US disclosed
CN-101090888-A 4-aminopiperidine derivatives HOFFMANN LA ROCHE (CH) 2007-12-19 CN disclosed
EP-1831165-A1 4-AMINOPIPERIDINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-09-12 EP disclosed
WO-2006066747-A1 4-AMINOPIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-06-29 WO disclosed
US-20060135561-A1 4-Aminopiperidine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2006-06-22 US disclosed
EP-1146871-A4 ANTIDEPRESSANT HETEROCYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2002-04-17 EP disclosed
EP-1146871-A1 ANTIDEPRESSANT HETEROCYCLIC COMPOUNDS Bristol-Myers Squibb Company (US) 2001-10-24 EP disclosed
US-6225324-B1 POTENT INHIBITION OF 5-HT REUPTAKE; 1,3-DISUBSTITUTED PYRROLIDINE, 1,4-DISUBSTITUTED PIPERIDINE, OR 1,4-DISUBSTITUTED HEXAHYDROAZEPINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2001-05-01 US disclosed
WO-2000044376-A1 ANTIDEPRESSANT HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-08-03 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-20100087485-A1 4-AMINOPIPERIDINE DERIVATIVES DPP4, GPR119, IAPP LMNA 4349/4885HIF1A 3288/4885ALDH1A1 199/4885
US-20170298067-A1 NOVEL TETRAHYDROPYRIDOPYIMIDINES AND TETRAHYDROPRIDOPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION TPX2, QDPR, TPMT LMNA 3590/4885HIF1A 3977/4885ALDH1A1 2832/4885
US-20060135561-A1 4-Aminopiperidine derivatives DPP4, GPR119, IAPP LMNA 4349/4885HIF1A 3288/4885ALDH1A1 199/4885
US-10196391-B2 Tetrahydropyridopyrimidines and tetrahydropyridopyridines for the treatment and prophylaxis of hepatitis B virus infection TPMT, TYMP, DPYD LMNA 3353/4885HIF1A 3431/4885ALDH1A1 2453/4885

“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.