SCHEMBL522064

SCHEMBL522064

NCCc1cccc(CCN)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.56
KCNH2 Q12809 4/20 0.52
NOS1 P29475 1/20 0.45
NOS2 P35228 1/20 0.45
HRH4 Q9H3N8 1/20 0.43
TAAR1 Q96RJ0 8/20 0.42
LOXL2 Q9Y4K0 2/20 0.42
CYP2A6 P11509 1/20 0.42
HTR2A P28223 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
PGK1 P00558 1/20 0.39
PGK2 P07205 1/20 0.39

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
SCHEMBL29792037 0.89 HRH1 (0.47) HRH1KCNH2NOS1NOS2HRH4
SCHEMBL29792041 0.89 KCNH2 (0.50) HRH1KCNH2NOS1NOS2HRH4
SCHEMBL24618405 0.89 KCNH2 (0.50) HRH1KCNH2NOS1NOS2HRH4
SCHEMBL24618443 0.89 HRH1 (0.47) HRH1KCNH2NOS1NOS2HRH4
Hydrochloric Acid SCHEMBL30951158 0.87 HRH1 (0.45) HRH1KCNH2NOS1NOS2HRH4
SCHEMBL6014618 0.85 NOS1 (0.48) HRH1KCNH2NOS1NOS2TAAR1
SCHEMBL30320127 0.85 KCNH2 (0.47) HRH1KCNH2NOS1NOS2HRH4
SCHEMBL24618193 0.85 KCNH2 (0.47) HRH1KCNH2NOS1NOS2HRH4
SCHEMBL522831 0.84 KCNH2 (0.56) HRH1KCNH2NOS1NOS2HRH4
SCHEMBL24617225 0.84 HRH1 (0.47) HRH1KCNH2NOS1NOS2TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024092160-A2 BIFUNCTIONAL PROTEASES AND USES THEREOF FLAGSHIP PIONEERING INNOVATIONS VII, LLC (US) 2024-05-02 WO disclosed
US-20230398226-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF VIRAL INFECTIONS CIDARA THERAPEUTICS, INC. 2023-12-14 US disclosed
US-20230398226-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF VIRAL INFECTIONS CIDARA THERAPEUTICS, INC. 2023-12-14 US disclosed
US-11833213-B2 Compositions and methods for the treatment of viral infections CIDARA THERAPEUTICS, INC. (US) 2023-12-05 US disclosed
US-11833213-B2 Compositions and methods for the treatment of viral infections CIDARA THERAPEUTICS, INC. (US) 2023-12-05 US disclosed
US-20230287365-A1 COMPOSITIONS AND METHODS FOR DECREASING INFLAMMATION BETH ISRAEL DEACONESS MEDICAL CENTER, INC. 2023-09-14 US disclosed
US-20230079107-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF HUMAN IMMUNODEFICIENCY VIRUS CIDARA THERAPEUTICS, INC. 2023-03-16 US disclosed
WO-2022036229-A2 COMPOSITIONS AND METHODS FOR DECREASING INFLAMMATION BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2022-02-17 WO disclosed
US-20210228727-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF VIRAL INFECTIONS CIDARA THERAPEUTICS, INC. (US) 2021-07-29 US disclosed
US-20210220478-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF VIRAL INFECTIONS CIDARA THERAPEUTICS, INC. (US) 2021-07-22 US disclosed
US-20040235814-A1 Methods to treat conditions mediated by chemokine receptors GENZYME CORPORATION 2004-11-25 US disclosed
US-6756391-B2 CYCLIC POLYAMINES HAVING TOTAL 9-24 MEMBERS WHICH HAVE ACTIVITY IN AGAINST HIV-INFECTED CELLS AS WELL AS OTHER BIOLOGICAL ACTIVITY RELATED TO BINDING OF LIGANDS TO CHEMOKINE RECEPTORS ANORMED, INC. (CA) 2004-06-29 US disclosed
EP-0739345-B1 CYCLIC POLYAMINES ANORMED INC (CA) 2003-04-09 EP disclosed
US-20030018189-A1 Cyclic polyamines having total 9-24 members which have activity in against HIV-infected cells as well as other biological activity related to binding of ligands to chemokine receptors GENZYME CORPORATION 2003-01-23 US disclosed
US-6506770-B1 Drawn to novel antiviral compounds, pharmaceutical compositions and their use. More specifically this invention is drawn to derivatives of monocyclic polyamines which have activity in standard tests against HIV-infected cells as well ANORMED, INC. 2003-01-14 US disclosed
EP-1095031-A1 ANTIVIRAL MACROCYCLIC COMPOUNDS ANORMED INC. (CA) 2001-05-02 EP disclosed
WO-2000002870-A1 ANTIVIRAL MACROCYCLIC COMPOUNDS ANORMED INC. (CA) 2000-01-20 WO disclosed
US-5698546-A Cyclic polyamines JOHNSON MATTHEY PUBLIC LIMTED COMPANY (GB) 1997-12-16 US disclosed
EP-0739345-A1 CYCLIC POLYAMINES JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 1996-10-30 EP disclosed
WO-1995018808-A1 CYCLIC POLYAMINES JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 1995-07-13 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 (6 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-20230398226-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF VIRAL INFECTIONS FCGR3B, ALB, FCGR1A HRH1 688/4885KCNH2 4673/4885NOS1 2529/4885
US-20210228727-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF VIRAL INFECTIONS FCGR3B, ALB, FCGR1A HRH1 688/4885KCNH2 4673/4885NOS1 2529/4885
US-11833213-B2 Compositions and methods for the treatment of viral infections FCGR3B, ALB, FCGR1A HRH1 688/4885KCNH2 4673/4885NOS1 2529/4885
US-20210220478-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF VIRAL INFECTIONS FCGR3B, ALB, FCGR1A HRH1 688/4885KCNH2 4673/4885NOS1 2529/4885
US-20230287365-A1 COMPOSITIONS AND METHODS FOR DECREASING INFLAMMATION ENTPD1, ENTPD2, ENTPD5 HRH1 3287/4885KCNH2 4739/4885NOS1 974/4885
US-20230079107-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF HUMAN IMMUNODEFICIENCY VIRUS FCGR3B, FCGR1A, FCGR2A HRH1 1751/4885KCNH2 4768/4885NOS1 2955/4885

“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.