SCHEMBL735870

SCHEMBL735870

O=C1CCN(c2ccc(OCc3ccccc3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
LMNA P02545 2/20 0.52
ALDH1A1 P00352 1/20 0.52
HTT P42858 1/20 0.52
MMP13 P45452 1/20 0.51
RAB9A P51151 4/20 0.50
KDM4E B2RXH2 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.49
NPC1 O15118 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
PKM P14618 1/20 0.49
LTA4H P09960 1/20 0.49
GSTP1 P09211 1/20 0.49
CYP1A2 P05177 1/20 0.49
PTGS1 P23219 1/20 0.49
SLC6A2 P23975 1/20 0.49
CYP2C19 P33261 1/20 0.49
PTGS2 P35354 1/20 0.49
SLC6A3 Q01959 1/20 0.49
HIF1A Q16665 1/20 0.49

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
SCHEMBL13279833 0.96 GSTP1 (0.52) MAPTLMNAALDH1A1HTTMMP13
SCHEMBL10437652 0.86 HRH3 (0.58) MAPTLMNAALDH1A1HTTRAB9A
SCHEMBL16046663 0.84 LTA4H (0.62) MAPTLMNAALDH1A1HTTRAB9A
SCHEMBL9047395 0.83 LTA4H (0.60) LMNAALDH1A1HTTRAB9AKDM4E
SCHEMBL738629 0.82 MAOB (0.54) MAPTLMNAALDH1A1HTTRAB9A
SCHEMBL28211954 0.81 KMT2A (0.62) MAPTLMNAALDH1A1HTTKDM4E
SCHEMBL2342568 0.81 LMNA (0.51) MAPTLMNAALDH1A1HTTRAB9A
SCHEMBL7891469 0.81 MAPT (0.49) MAPTLMNAALDH1A1HTTRAB9A
SCHEMBL13202898 0.80 RAB9A (0.67) MAPTLMNAALDH1A1HTTRAB9A
SCHEMBL335477 0.80 LTA4H (0.64) MAPTLMNAALDH1A1HTTLTA4H

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 28 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
WO-2012141338-A1 6,7 - DIHYDROIMIDAZO [2, 1 - B] [1, 3] OXAZINE BACTERICIDES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-10-18 WO disclosed
CN-101228127-B Piperidine derivatives BANYU PHARMA CO LTD 2012-05-16 CN disclosed
US-8138206-B2 Piperidine derivative MSD. K.K. (JP) 2012-03-20 US disclosed
US-20090137576-A1 Novel Piperidine Derivative MSD K.K. (JP) 2009-05-28 US disclosed
CN-101228127-A Novel Piperidine Derivatives BANYU PHARMA CO LTD (JP) 2008-07-23 CN disclosed
EP-1892241-A1 NOVEL PIPERIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-02-27 EP disclosed
CN-1141936-C Usage of aryl-cyclohexylamine derivant in anti-disturbance of central nervous system - 2004-03-17 CN disclosed
US-6184236-B1 Method of treating a neurodegenerative disease by administering an aryl-cyclohexylamine derivative HOFFMANN-LA ROCHE INC. 2001-02-06 US disclosed
CN-1248439-A Usage of aryl-cyclohexylamine derivant in anti-disturbance of central nervous system HOFFMAN LA ROCHE & CO AKTEINGE (DE) 2000-03-29 CN disclosed
EP-0982026-A2 Use of aryl-cyclohexylamine derivatives in the manufacture of NMDA receptor blockers F. HOFFMANN-LA ROCHE AG (CH) 2000-03-01 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 (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-20090137576-A1 Novel Piperidine Derivative HRH4, HRH3, HRH1 MAPT 4377/4885LMNA 4494/4885ALDH1A1 1242/4885
US-20170298067-A1 NOVEL TETRAHYDROPYRIDOPYIMIDINES AND TETRAHYDROPRIDOPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION TPX2, QDPR, TPMT MAPT 4122/4885LMNA 3590/4885ALDH1A1 2832/4885
US-10196391-B2 Tetrahydropyridopyrimidines and tetrahydropyridopyridines for the treatment and prophylaxis of hepatitis B virus infection TPMT, TYMP, DPYD MAPT 4138/4885LMNA 3353/4885ALDH1A1 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.