SCHEMBL5779110

SCHEMBL5779110

Nc1ncc2n1CCNC2

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.39
HTR2C P28335 7/20 0.39
HRH3 Q9Y5N1 1/20 0.32
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30
HRH4 Q9H3N8 1/20 0.30

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
SCHEMBL2002227 0.77 HTR2C (0.39) HTR2AHTR2CCHRNB2CHRNA4
Hydrochloric Acid SCHEMBL5774503 0.76 HTR2C (0.38) HTR2AHTR2CCHRNB2CHRNA4
Hydrochloric Acid SCHEMBL29575735 0.76 HTR2A (0.38) HTR2AHTR2CCHRNB2CHRNA4
SCHEMBL21003099 0.74 HTR2C (0.37) HTR2AHTR2C
SCHEMBL15432302 0.74 TGFBR1 (0.37) HTR2AHTR2CCHRNB2CHRNA4
SCHEMBL24024425 0.73 HTR2A (0.36) HTR2AHTR2C
SCHEMBL23851500 0.73 HTR2A (0.36) HTR2AHTR2CCHRNB2CHRNA4
SCHEMBL24731165 0.73 HTR2A (0.36) HTR2AHTR2C
SCHEMBL411656 0.73 HTR2A (0.36) HTR2AHTR2C
SCHEMBL24731148 0.73 HTR2A (0.36) HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11597733-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2023-03-07 US disclosed
WO-2022247770-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海璎黎药业有限公司 2022-12-01 WO disclosed
WO-2021078120-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2021-04-29 WO disclosed
US-20210115065-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2021-04-22 US disclosed
EP-1483257-B1 QUINAZOLINE COMPOUNDS USEFUL IN THERAPY PFIZER LTD (GB) 2006-09-13 EP disclosed
US-6936619-B2 Cardiovascular disorders; antilipemic agents; sexual disorders PFIZER, INC. (US) 2005-08-30 US disclosed
US-20040029859-A1 Compounds useful in therapy PFIZER INC. 2004-02-12 US 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-20040029859-A1 Compounds useful in therapy ADRA1D, HSD3B1, PTGER1 HTR2A 706/4885HTR2C 296/4885HRH3 170/4885
US-11597733-B2 Compounds and compositions for the treatment of parasitic diseases ABCB11, SQLE, FURIN HTR2A 4762/4885HTR2C 4495/4885HRH3 904/4885
US-20210115065-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES ABCB11, SQLE, FURIN HTR2A 4762/4885HTR2C 4495/4885HRH3 904/4885

“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.