SCHEMBL3536027

SCHEMBL3536027

CCCCn1cc(CCC)nn1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.56
HRH4 Q9H3N8 2/20 0.55
HRH3 Q9Y5N1 2/20 0.55
GBA1 P04062 12/20 0.54
EPHX2 P34913 1/20 0.48

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
SCHEMBL3544302 0.94 GBA1 (0.59) CYP19A1HRH4HRH3GBA1EPHX2
SCHEMBL10078112 0.93 GBA1 (0.62) CYP19A1HRH4HRH3GBA1EPHX2
SCHEMBL14898386 0.93 GBA1 (0.62) CYP19A1HRH4HRH3GBA1EPHX2
SCHEMBL5020804 0.92 HRH4 (0.58) CYP19A1HRH4HRH3GBA1EPHX2
SCHEMBL15958720 0.91 HRH4 (0.65) CYP19A1HRH4HRH3GBA1EPHX2
SCHEMBL5021143 0.89 HRH4 (0.66) CYP19A1HRH4HRH3GBA1EPHX2
SCHEMBL21318217 0.89 HRH4 (0.66) CYP19A1HRH4HRH3GBA1EPHX2
SCHEMBL18163271 0.89 HRH4 (0.66) CYP19A1HRH4HRH3GBA1EPHX2
SCHEMBL5021089 0.88 CYP19A1 (0.59) CYP19A1HRH4HRH3GBA1
SCHEMBL19187211 0.87 CYP19A1 (0.51) CYP19A1HRH4HRH3GBA1EPHX2

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 82 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
US-20240124371-A1 NITRIFICATION INHIBITORS AND FORMULATIONS INCITEC FERTILISERS OPERATIONS PTY LTD (AU) 2024-04-18 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
WO-2021042169-A1 NITRIFICATION INHIBITORS THE UNIVERSITY OF MELBOURNE (AU) 2021-03-11 WO disclosed
US-20200237924-A1 CONOTOXIN PEPTIDE ANALOGS AND USES FOR THE TREATMENT OF PAIN AND INFLAMMATORY CONDITIONS KINETA CHRONIC PAIN, LLC (US) 2020-07-30 US 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-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
WO-2008104000-A2 TRIAZOLE MACROCYCLE SYSTEMS AILERON THERAPEUTICS, INC. (US) 2008-08-28 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 (9 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-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-20200237924-A1 CONOTOXIN PEPTIDE ANALOGS AND USES FOR THE TREATMENT OF PAIN AND INFLAMMATORY CONDITIONS CHRNG, CHRNA9, CHRNA10 CYP19A1 3743/4885HRH4 1173/4885HRH3 1240/4885
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-20220324770-A1 NITRIFICATION INHIBITORS NOS1, NOS2, NIT2 CYP19A1 175/4885HRH4 1525/4885HRH3 2479/4885
US-20240124371-A1 NITRIFICATION INHIBITORS AND FORMULATIONS NOS1, NOS2, NAT1 CYP19A1 812/4885HRH4 1769/4885HRH3 2700/4885

“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.