SCHEMBL5021089

SCHEMBL5021089

CCCc1cn(CCC)nn1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.59
HRH4 Q9H3N8 2/20 0.47
HRH3 Q9Y5N1 2/20 0.47
GBA1 P04062 12/20 0.46

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
SCHEMBL3536027 0.88 CYP19A1 (0.56) CYP19A1HRH4HRH3GBA1
SCHEMBL3560938 0.88 L3MBTL1 (0.55) CYP19A1HRH4HRH3GBA1
SCHEMBL18994544 0.86 CYP19A1 (0.54) CYP19A1HRH4HRH3GBA1
SCHEMBL2628206 0.86 CYP19A1 (0.54) CYP19A1HRH4HRH3GBA1
SCHEMBL12825911 0.86 CYP19A1 (0.54) CYP19A1HRH4HRH3GBA1
SCHEMBL23619464 0.86 CYP19A1 (0.46) CYP19A1HRH4HRH3GBA1
SCHEMBL3544302 0.86 GBA1 (0.59) CYP19A1HRH4HRH3GBA1
SCHEMBL5020803 0.86 HRH4 (0.61) CYP19A1HRH4HRH3GBA1
SCHEMBL22062687 0.86 HRH4 (0.47) CYP19A1HRH4HRH3GBA1
SCHEMBL1753962 0.85 GBA1 (0.45) CYP19A1HRH4HRH3GBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220324770-A1 NITRIFICATION INHIBITORS THE UNIVERSITY OF MELBOURNE (AU) 2022-10-13 US claimed
EP-4025564-A1 NITRIFICATION INHIBITORS The University of Melbourne (AU) 2022-07-13 EP claimed
CN-114616227-A Nitrification inhibitors 墨尔本大学 2022-06-10 CN claimed
WO-2021042169-A1 NITRIFICATION INHIBITORS THE UNIVERSITY OF MELBOURNE (AU) 2021-03-11 WO claimed
CN-114616227-B Nitrification inhibitor 墨尔本大学 2025-01-21 CN disclosed
WO-2024110385-A1 DERIVATISATION AGENT FOR LASER DESORPTION IONIZATION MASS SPECTROMETRY F. HOFFMANN-LA ROCHE AG (CH) 2024-05-30 WO disclosed
US-20230235301-A1 Compounds and Methods for Treating, Ameliorating, or Preventing Herpes Ocular Keratitis THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2023-07-27 US disclosed
US-20230119640-A1 ANTIBACTERIAL HYDROPHILIC COMPOUND SHENZHEN UNIVERSITY (CN) 2023-04-20 US disclosed
US-20220324770-A1 NITRIFICATION INHIBITORS THE UNIVERSITY OF MELBOURNE (AU) 2022-10-13 US disclosed
EP-4025564-A1 NITRIFICATION INHIBITORS The University of Melbourne (AU) 2022-07-13 EP disclosed
CN-114616227-A Nitrification inhibitors 墨尔本大学 2022-06-10 CN disclosed
WO-2021042169-A1 NITRIFICATION INHIBITORS THE UNIVERSITY OF MELBOURNE (AU) 2021-03-11 WO disclosed
US-20110223149-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2011-09-15 US disclosed
US-7981999-B2 Peptidomimetics; kits; macrocyclization AILERON THERAPEUTICS, INC. (US) 2011-07-19 US disclosed
US-20110144303-A1 Biologically Active Peptidomimetic Macrocycles AILERON THERAPEUTICS, INC. (US) 2011-06-16 US disclosed
US-20100298201-A1 PEPTIDOMIMETIC MACROCYCLES WITH IMPROVED PROPERTIES AILERON THERAPEUTICS, INC. (US) 2010-11-25 US disclosed
US-20100216688-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2010-08-26 US disclosed
US-20090326192-A1 BIOLOGICALLY ACTIVE PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2009-12-31 US disclosed
US-20090275519-A1 Therapeutic peptidomimetic macrocycles AILERON THERAPEUTICS, INC. (US) 2009-11-05 US disclosed
US-20080262200-A1 Triazole Macrocycle Systems AILERON THERAPEUTICS, INC., A DELAWARE CORPORATION (US) 2008-10-23 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 (10 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-20230235301-A1 Compounds and Methods for Treating, Ameliorating, or Preventing Herpes Ocular Keratitis STING1, TK1, PCNA CYP19A1 4612/4885HRH4 1349/4885HRH3 323/4885
US-20080262200-A1 Triazole Macrocycle Systems FLT3, VIP, NGLY1 CYP19A1 2366/4885HRH4 1806/4885HRH3 1158/4885
US-20090326192-A1 BIOLOGICALLY ACTIVE PEPTIDOMIMETIC MACROCYCLES VIP, ANPEP, DNPEP CYP19A1 2899/4885HRH4 4460/4885HRH3 3972/4885
US-20110223149-A1 PEPTIDOMIMETIC MACROCYCLES PREP, ANPEP, DNPEP CYP19A1 1866/4885HRH4 4083/4885HRH3 3193/4885
US-20100216688-A1 PEPTIDOMIMETIC MACROCYCLES CCL2, TAP2, TAP1 CYP19A1 3811/4885HRH4 4334/4885HRH3 3879/4885
US-20110144303-A1 Biologically Active Peptidomimetic Macrocycles VIP, ANPEP, DNPEP CYP19A1 2899/4885HRH4 4460/4885HRH3 3972/4885
US-20100298201-A1 PEPTIDOMIMETIC MACROCYCLES WITH IMPROVED PROPERTIES VIP, ANPEP, NGLY1 CYP19A1 3250/4885HRH4 4246/4885HRH3 3700/4885
US-20090275519-A1 Therapeutic peptidomimetic macrocycles PCNA, MKI67, NFATC1 CYP19A1 2887/4885HRH4 3022/4885HRH3 2281/4885
US-20230119640-A1 ANTIBACTERIAL HYDROPHILIC COMPOUND HIRA, NOD2, CHLSN CYP19A1 3453/4885HRH4 41/4885HRH3 15/4885
US-20220324770-A1 NITRIFICATION INHIBITORS NOS1, NOS2, NIT2 CYP19A1 175/4885HRH4 1525/4885HRH3 2479/4885

“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.