SCHEMBL8316966

SCHEMBL8316966

CN1CCc2c(ncn2C)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.36
MAOB P27338 3/20 0.36
HRH3 Q9Y5N1 2/20 0.35
GRM5 P41594 1/20 0.35
DRD4 P21917 4/20 0.35
DRD2 P14416 2/20 0.35
DRD1 P21728 2/20 0.35
DRD5 P21918 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 3/20 0.33
DRD3 P35462 1/20 0.32
HTR6 P50406 2/20 0.32
HRH1 P35367 1/20 0.32
SLC6A4 P31645 2/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
SLC6A2 P23975 1/20 0.32
HRH2 P25021 1/20 0.32

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
SCHEMBL12082578 0.86 GRM5 (0.41) MAOAMAOBHRH3GRM5DRD4
SCHEMBL12082592 0.84 NAMPT (0.38) MAOAMAOBHRH3GRM5DRD4
SCHEMBL31125639 0.82 MAOA (0.35) MAOAMAOBHRH3DRD4DRD2
SCHEMBL18726583 0.81 MAOA (0.34) MAOAMAOBHRH3DRD4DRD2
SCHEMBL20284220 0.81 GRM5 (0.34) GRM5DRD4FGFR1FGFR2FGFR3
SCHEMBL20793348 0.78 HRH3 (0.33) MAOAMAOBHRH3CYP1A2CYP2D6
SCHEMBL438780 0.78 GRM5 (0.33) GRM5FGFR1FGFR2FGFR3ACVR1
SCHEMBL2606745 0.78 PIK3R1 (0.35) HRH3GRM5FGFR1FGFR2FGFR3
SCHEMBL30703875 0.78 HRH3 (0.35) MAOAMAOBHRH3CYP1A2CYP2D6
SCHEMBL10325665 0.75 GRM5 (0.44) GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117561256-A Crystal form of biphenyl derivative inhibitor and preparation method thereof 上海翰森生物医药科技有限公司 2024-02-13 CN claimed
WO-2023274280-A1 CRYSTAL FORM OF BIPHENYL DERIVATIVE INHIBITOR AND PREPARATION METHOD THEREFOR 上海翰森生物医药科技有限公司 2023-01-05 WO claimed
CN-115536657-A Salt of biphenyl derivative inhibitor, crystal form and preparation method thereof 上海翰森生物医药科技有限公司 2022-12-30 CN claimed
CN-113072551-B Nitrogen-containing biphenyl derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-08-13 CN disclosed
EP-3958867-B1 SMALL MOLECULE BROMODOMAIN INHIBITORS AND USES THEREOF CONVERGENE LLC (US) 2024-06-26 EP disclosed
CN-117561256-A Crystal form of biphenyl derivative inhibitor and preparation method thereof 上海翰森生物医药科技有限公司 2024-02-13 CN disclosed
CN-113348170-B Biphenyl derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-12-22 CN disclosed
EP-4223369-A1 IMMUNOMODULATOR COMPOUNDS AND METHODS OF USE Incyte Corporation (US) 2023-08-09 EP disclosed
CN-111925367-B Fused ring derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-07-07 CN disclosed
US-20230149409-A1 TREATMENT OF HUMAN PAPILLOMAVIRUS-ASSOCIATED CANCERS BY PD-L1 INHIBITORS INCYTE CORPORATION 2023-05-18 US disclosed
WO-2023274280-A1 CRYSTAL FORM OF BIPHENYL DERIVATIVE INHIBITOR AND PREPARATION METHOD THEREFOR 上海翰森生物医药科技有限公司 2023-01-05 WO disclosed
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-07-16 US disclosed
US-7429597-B2 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-09-30 US disclosed
US-7429597-B2 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-09-30 US disclosed
US-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-06-05 US disclosed
US-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-06-05 US disclosed
US-7326791-B2 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-02-05 US disclosed
US-7326791-B2 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-02-05 US disclosed
WO-2004058743-A1 NOVEL SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES AND USE THEREOF AS FACTOR XA INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-15 WO disclosed
WO-2004056784-A1 NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-08 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-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 MAOA 54/4885MAOB 43/4885HRH3 190/4885
US-20230149409-A1 TREATMENT OF HUMAN PAPILLOMAVIRUS-ASSOCIATED CANCERS BY PD-L1 INHIBITORS PDCD1LG2, CD274, PDCD1 MAOA 4496/4885MAOB 4369/4885HRH3 3083/4885
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 MAOA 198/4885MAOB 32/4885HRH3 457/4885

“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.