SCHEMBL5729484

SCHEMBL5729484

O=C1CCN(c2cccnc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.57
CHRNA4 P43681 7/20 0.57
HTT P42858 1/20 0.47
CHRNA7 P36544 1/20 0.46
CHRNB4 P30926 2/20 0.45
CHRNA3 P32297 2/20 0.45

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
SCHEMBL5405224 0.93 CHRNB2 (0.59) CHRNB2CHRNA4HTTCHRNA7CHRNB4
SCHEMBL5405408 0.89 CHRNB2 (0.50) CHRNB2CHRNA4HTTCHRNA7CHRNB4
SCHEMBL2196688 0.82 APP (0.51)
SCHEMBL5416033 0.81 CHRNB2 (0.51) CHRNB2CHRNA4HTTCHRNA7CHRNB4
SCHEMBL11544331 0.80 CHRNB2 (0.76) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL161236 0.80 CHRNB2 (0.76) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL29959593 0.80 CHRNB2 (0.76) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL5408330 0.80 CHRNB2 (0.55) CHRNB2CHRNA4HTTCHRNA7CHRNB4
SCHEMBL1462348 0.79 CHRNB2 (0.73) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL30241909 0.79 CHRNB2 (0.73) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3

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
CN-116924976-A Diaryl heterocyclic amine compound, preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2023-10-24 CN claimed
CN-116924976-A Diaryl heterocyclic amine compound, preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2023-10-24 CN disclosed
EP-3042900-B1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORP (JP) 2020-09-23 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
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-107108656-B N- substitution -3,5- disubstituted benzenes Carbox amide and its preparation method and application 中国科学院上海药物研究所 2019-11-05 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
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-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 US disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 US disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 US disclosed
CN-102898523-B N-substituted-tetrahydropyridylindole-monoclonal antibody CD14 conjugates, and preparation method and application thereof UNIV SHANGHAI 2014-06-25 CN disclosed
CN-102898523-A N-substituted-tetrahydropyridylindole-monoclonal antibody CD14 conjugates, and preparation method and application thereof UNIV SHANGHAI 2013-01-30 CN disclosed
EP-1188755-B1 ACYLHYDRAZINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2006-05-03 EP disclosed
US-6723722-B1 BLOOD COAGULATION FACTOR X INHIBITORS; ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-04-20 US disclosed
EP-1188755-A1 ACYLHYDRAZINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-03-20 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-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF PRMT7, RBBP7, RER1 CHRNB2 509/4885CHRNA4 454/4885HTT 3547/4885
US-20170298067-A1 NOVEL TETRAHYDROPYRIDOPYIMIDINES AND TETRAHYDROPRIDOPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION TPX2, QDPR, TPMT CHRNB2 4249/4885CHRNA4 3471/4885HTT 3763/4885
US-10196391-B2 Tetrahydropyridopyrimidines and tetrahydropyridopyridines for the treatment and prophylaxis of hepatitis B virus infection TPMT, TYMP, DPYD CHRNB2 4650/4885CHRNA4 4238/4885HTT 3679/4885

“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.