SCHEMBL5021146

SCHEMBL5021146

CCCn1cc(CCCCCCC(C)C)nn1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.49
HRH3 Q9Y5N1 2/20 0.49
CYP19A1 P11511 6/20 0.49
GBA1 P04062 8/20 0.45
EPHX2 P34913 1/20 0.44
GGPS1 O95749 2/20 0.42

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
SCHEMBL23613270 1.00 HRH4 (0.49) HRH4HRH3CYP19A1GBA1EPHX2
SCHEMBL19176415 1.00 HRH4 (0.49) HRH4HRH3CYP19A1GBA1EPHX2
SCHEMBL3549776 0.98 HRH4 (0.48) HRH4HRH3CYP19A1GBA1EPHX2
SCHEMBL9926328 0.94 HRH4 (0.46) HRH4HRH3CYP19A1GBA1
SCHEMBL18493346 0.93 HRH4 (0.54) HRH4HRH3CYP19A1GBA1EPHX2
SCHEMBL5021139 0.93 HRH4 (0.54) HRH4HRH3CYP19A1GBA1EPHX2
SCHEMBL18493347 0.91 HRH4 (0.56) HRH4HRH3CYP19A1GBA1EPHX2
SCHEMBL18494157 0.91 HRH4 (0.56) HRH4HRH3CYP19A1GBA1EPHX2
SCHEMBL22762136 0.91 HRH4 (0.56) HRH4HRH3CYP19A1GBA1EPHX2
SCHEMBL18489275 0.91 HRH4 (0.56) HRH4HRH3CYP19A1GBA1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230072658-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-03-09 US disclosed
US-20190292224-A1 TRIAZOLE-CROSSLINKED AND THIOETHER-CROSSLINKED PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2019-09-26 US disclosed
US-20190225650-A1 PEPTIDOMIMETIC MACROCYCLES AND USE THEREOF IN REGULATING HIF1ALPHA AILERON THERAPEUTICS, INC. 2019-07-25 US disclosed
US-10023613-B2 Peptidomimetic macrocycles as modulators of MCL-1 AILERON THERAPEUTICS, INC. (US) 2018-07-17 US disclosed
US-9789164-B2 Peptides comprising non-natural amino acids and methods of making and using the same LONGEVITY BIOTECH, INC. (US) 2017-10-17 US disclosed
US-20170212125-A1 PEPTIDOMIMETIC MACROCYCLES WITH IMPROVED PROPERTIES AILERON THERAPEUTICS, INC. 2017-07-27 US disclosed
US-20170114098-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF AILERON THERAPEUTICS, INC. 2017-04-27 US disclosed
US-20170107252-A1 PEPTIDOMIMETIC MACROCYCLES AS MODULATORS OF MCL-1 AILERON THERAPEUTICS, INC. 2017-04-20 US disclosed
US-8399405-B2 Peptidomimetic macrocycles AILERON THERAPEUTICS, INC. (US) 2013-03-19 US disclosed
US-20120172311-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2012-07-05 US disclosed
US-20120115783-A1 PEPTIDOMIMETIC MACROCYCLES Alleron therapeutics, Inc (US) 2012-05-10 US disclosed
US-20120040889-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS INC. (US) 2012-02-16 US disclosed
US-20110263815-A1 TRIAZOLE MACROCYCLE SYSTEMS AILERON THERAPEUTICS, INC., A DELAWARE CORPORATION (US) 2011-10-27 US disclosed
US-20110250685-A1 COMPOSITIONS AND METHODS FOR ENHANCING CELLULAR TRANSPORT OF BIOMOLECULES NASH HUW M 2011-10-13 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-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 (15 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-20190225650-A1 PEPTIDOMIMETIC MACROCYCLES AND USE THEREOF IN REGULATING HIF1ALPHA HIF1A, HIF1AN, EGLN3 HRH4 1456/4885HRH3 875/4885CYP19A1 797/4885
US-20080262200-A1 Triazole Macrocycle Systems FLT3, VIP, NGLY1 HRH4 1806/4885HRH3 1158/4885CYP19A1 2366/4885
US-10023613-B2 Peptidomimetic macrocycles as modulators of MCL-1 MCL1, BCL2L1, BCL2L11 HRH4 4598/4885HRH3 3944/4885CYP19A1 4708/4885
US-20110263815-A1 TRIAZOLE MACROCYCLE SYSTEMS FLT3, VIP, NGLY1 HRH4 1806/4885HRH3 1158/4885CYP19A1 2366/4885
US-20120040889-A1 PEPTIDOMIMETIC MACROCYCLES ZC3HAV1, HAVCR2, ZC3HAV1L HRH4 2978/4885HRH3 2750/4885CYP19A1 3662/4885
US-20190292224-A1 TRIAZOLE-CROSSLINKED AND THIOETHER-CROSSLINKED PEPTIDOMIMETIC MACROCYCLES IL33, TPR, CDC37 HRH4 1115/4885HRH3 912/4885CYP19A1 2898/4885
US-20170212125-A1 PEPTIDOMIMETIC MACROCYCLES WITH IMPROVED PROPERTIES VIP, ANPEP, NGLY1 HRH4 4246/4885HRH3 3700/4885CYP19A1 3250/4885
US-20120115783-A1 PEPTIDOMIMETIC MACROCYCLES GLP1R, PROKR1, VIP HRH4 1851/4885HRH3 2016/4885CYP19A1 1614/4885
US-20110250685-A1 COMPOSITIONS AND METHODS FOR ENHANCING CELLULAR TRANSPORT OF BIOMOLECULES SLC29A2, SLC29A1, SLC22A3 HRH4 4816/4885HRH3 3990/4885CYP19A1 4772/4885
US-20110144303-A1 Biologically Active Peptidomimetic Macrocycles VIP, ANPEP, DNPEP HRH4 4460/4885HRH3 3972/4885CYP19A1 2899/4885
US-20100298201-A1 PEPTIDOMIMETIC MACROCYCLES WITH IMPROVED PROPERTIES VIP, ANPEP, NGLY1 HRH4 4246/4885HRH3 3700/4885CYP19A1 3250/4885
US-20120172311-A1 PEPTIDOMIMETIC MACROCYCLES CCL2, TAP2, TAP1 HRH4 4334/4885HRH3 3879/4885CYP19A1 3811/4885
US-20170114098-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF NGLY1, BID, DNPEP HRH4 2561/4885HRH3 2159/4885CYP19A1 2283/4885
US-20230072658-A1 SMARCA DEGRADERS AND USES THEREOF SMARCA1, SMARCB1, SMARCE1 HRH4 3193/4885HRH3 1490/4885CYP19A1 4266/4885
US-20170107252-A1 PEPTIDOMIMETIC MACROCYCLES AS MODULATORS OF MCL-1 MCL1, BCL2L1, BCL2L11 HRH4 4598/4885HRH3 3944/4885CYP19A1 4708/4885

“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.