SCHEMBL4777232

SCHEMBL4777232

c1ccc2c(c1)ccn2CC1CCNCC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.52
CDK4 P11802 4/20 0.52
CCND1 P24385 4/20 0.52
KMT2A Q03164 1/20 0.44
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
GBA1 P04062 1/20 0.43
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
HTR3A P46098 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL29942246 0.88 CDK4 (0.61) HTR6CDK4CCND1KMT2AMTNR1A
SCHEMBL20532528 0.88 CDK4 (0.61) HTR6CDK4CCND1KMT2AMTNR1A
SCHEMBL9635379 0.86 CDK4 (0.56) HTR6CDK4CCND1MTNR1AMTNR1B
SCHEMBL14064208 0.84 CDK4 (0.57) HTR6CDK4CCND1KMT2AMTNR1A
SCHEMBL22439496 0.83 HTR6 (0.59) HTR6CDK4CCND1KMT2AMTNR1A
Hydrochloric Acid SCHEMBL28092919 0.82 HTR6 (0.43) HTR6KMT2AMTNR1AMTNR1B
SCHEMBL8143084 0.81 HTR6 (0.51) HTR6CDK4CCND1KMT2AMTNR1A
SCHEMBL17063357 0.80 HTR2A (0.47) HTR6HTR2AHTR2CSLC6A4
SCHEMBL30641145 0.80 HTR6 (0.52) HTR6CDK4CCND1KMT2AMTNR1A
SCHEMBL19551431 0.80 HTR6 (0.52) HTR6CDK4CCND1KMT2AMTNR1A

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2742047-B1 ANTIBACTERIAL PIPERIDINYL SUBSTITUTED 3,4-DIHYDRO-1H-[1,8]NAPHTHYRIDINONES JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2021-05-12 EP disclosed
US-9598407-B2 Antibacterial piperidinyl substituted 3,4-dihydro-1H-[1,8]naphthyridinones JANSSEN SCIENCES IRELAND UC (IE) 2017-03-21 US disclosed
CN-105503869-A Antibacterial piperidinyl substituted 3,4-dihydro-1H-[1,8]naphthyridinones JANSSEN R & D IRELAND 2016-04-20 CN disclosed
CN-103917540-B Antibacterial piperidinyl-substituted 3, 4-dihydro-1H- [1, 8] naphthyridinones JANSSEN R&D IRELAND (IE) 2016-03-16 CN disclosed
US-20150158866-A1 Antibacterial piperidinyl substituted 3,4-dihydro-1H-[1,8]naphthyridinones JANSSEN SCIENCES IRELAND UC (IE) 2015-06-11 US disclosed
US-9012634-B2 Antibacterial piperidinyl substituted 3,4-dihydro-1H-[1,8]naphthyridinones JANSSEN R&D IRELAND (IE) 2015-04-21 US disclosed
CN-103917540-A Antibacterial piperidinyl-substituted 3, 4-dihydro-1H- [1,8] naphthyridinones JANSSEN R & D IRELAND 2014-07-09 CN disclosed
EP-2742047-A1 ANTIBACTERIAL PIPERIDINYL SUBSTITUTED 3,4-DIHYDRO-1H-[1,8]NAPHTHYRIDINONES Janssen R&D Ireland (IE) 2014-06-18 EP disclosed
US-20140163038-A1 Antibacterial piperidinyl substituted 3,4-dihydro-1H-[1,8]naphthyridinones JANSSEN SCIENCES IRELAND UC (IE) 2014-06-12 US disclosed
WO-2013021052-A1 ANTIBACTERIAL PIPERIDINYL SUBSTITUTED 3,4-DIHYDRO-1H-[1,8]NAPHTHYRIDINONES JANSSEN R&D IRELAND (IE) 2013-02-14 WO disclosed
US-7348324-B2 Cyclic amine compounds as CCR5 antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-03-25 US disclosed
EP-1886994-A1 Cyclic amine compounds as CCR5 antagonists Takeda Pharmaceutical Company Limited (JP) 2008-02-13 EP disclosed
US-20030114443-A1 Cyclic amine compounds as CCR5 antagonists TOBIRA THERAPEUTICS, INC. 2003-06-19 US disclosed
US-6562978-B1 N-(3-(4-(4-(Aminocarbonyl)benzyl)-1-piperidinyl)propyl)-N-(3, 4-dichlorophenyl)-1-(methylsulfonyl)-4-piperidinecarboxamide or a salt thereof for treatment of AIDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-05-13 US disclosed
CN-1390201-A cyclic amine compounds as CCR5 antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-01-08 CN disclosed
EP-1220842-A1 CYCLIC AMINE COMPOUNDS AS CCR5 ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2002-07-10 EP disclosed
WO-2001025200-A1 CYCLIC AMINE COMPOUNDS AS CCR5 ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-12 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-20140163038-A1 Antibacterial piperidinyl substituted 3,4-dihydro-1H-[1,8]naphthyridinones FAR1, DNASE1, LAMP1 HTR6 4784/4885CDK4 2199/4885CCND1 1708/4885
US-20030114443-A1 Cyclic amine compounds as CCR5 antagonists CCR5, CCR1, CCR3 HTR6 566/4885CDK4 4226/4885CCND1 1615/4885
US-20150158866-A1 Antibacterial piperidinyl substituted 3,4-dihydro-1H-[1,8]naphthyridinones NQO2, ALPI, ECI1 HTR6 4733/4885CDK4 1953/4885CCND1 2032/4885

“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.