SCHEMBL737198

SCHEMBL737198

COc1ccc(N2CCC3(CC2)OCCO3)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.58
KMT2A Q03164 5/20 0.55
HTR3E A5X5Y0 1/20 0.53
HTR3B O95264 1/20 0.53
ADRB1 P08588 1/20 0.53
HTR3A P46098 1/20 0.53
HTR3D Q70Z44 1/20 0.53
HTR3C Q8WXA8 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
ALDH1A1 P00352 6/20 0.52
MEN1 O00255 3/20 0.52
AKR1C3 P42330 1/20 0.50
LGMN Q99538 1/20 0.50
KDM4E B2RXH2 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
HCRTR1 O43613 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 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
SCHEMBL3179675 0.94 POLB (0.53) POLBKMT2AHTR3EHTR3BADRB1
SCHEMBL17893792 0.87 ADRB1 (0.53) POLBKMT2AADRB1ALDH1A1MEN1
SCHEMBL14117690 0.83 ADRB1 (0.56) POLBKMT2AADRB1ALDH1A1MEN1
SCHEMBL6074051 0.83 KMT2A (0.74) POLBKMT2AALDH1A1MEN1KDM4E
SCHEMBL14117662 0.81 LGMN (0.54) KMT2AADRB1ALDH1A1MEN1AKR1C3
SCHEMBL14117664 0.81 LTA4H (0.55) POLBKMT2AALDH1A1LGMNKDM4E
SCHEMBL17893844 0.80 FFAR4 (0.54) POLBKMT2AADRB1ALDH1A1MEN1
SCHEMBL17902039 0.80 POLB (0.49) POLBKMT2AADRB1ALDH1A1MEN1
SCHEMBL608791 0.80 CHRNB2 (0.56) POLBKMT2AALDH1A1LGMNKDM4E
SCHEMBL17893688 0.80 FFAR4 (0.55) POLBKMT2AADRB1ALDH1A1MEN1

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 13 patents. 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
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
WO-2016107832-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2016-07-07 WO disclosed
WO-2016107832-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2016-07-07 WO 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
EP-1892241-A1 NOVEL PIPERIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-02-27 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 POLB 3782/4885KMT2A 825/4885HTR3E 362/4885
US-20170298067-A1 NOVEL TETRAHYDROPYRIDOPYIMIDINES AND TETRAHYDROPRIDOPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION TPX2, QDPR, TPMT POLB 888/4885KMT2A 2296/4885HTR3E 3597/4885
US-10196391-B2 Tetrahydropyridopyrimidines and tetrahydropyridopyridines for the treatment and prophylaxis of hepatitis B virus infection TPMT, TYMP, DPYD POLB 525/4885KMT2A 2103/4885HTR3E 3647/4885

“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.