SCHEMBL5021078

SCHEMBL5021078

CCCCCn1cc(CC)nn1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 12/20 0.56
HRH4 Q9H3N8 2/20 0.51
HRH3 Q9Y5N1 2/20 0.51
SMPD1 P17405 4/20 0.50
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
SCHEMBL21555593 0.98 GBA1 (0.58) GBA1HRH4HRH3SMPD1EPHX2
SCHEMBL3550825 0.98 GBA1 (0.58) GBA1HRH4HRH3SMPD1EPHX2
SCHEMBL19604902 0.98 GBA1 (0.58) GBA1HRH4HRH3SMPD1EPHX2
SCHEMBL3535989 0.94 GBA1 (0.50) GBA1HRH4HRH3
SCHEMBL12299383 0.92 GBA1 (0.51) GBA1HRH4HRH3SMPD1
SCHEMBL12299387 0.92 GBA1 (0.51) GBA1HRH4HRH3SMPD1
SCHEMBL3544302 0.87 GBA1 (0.59) GBA1HRH4HRH3EPHX2
SCHEMBL460417 0.87 HRH4 (0.65) GBA1HRH4HRH3EPHX2
SCHEMBL18462060 0.87 GBA1 (0.62) GBA1HRH4HRH3EPHX2
SCHEMBL1753962 0.86 GBA1 (0.45) GBA1HRH4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023208928-A1 DOSAGE OF PSMA-LIGANDS FOR FLUORESCENCE BASED DETECTION OF CANCEROUS TISSUE Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2023-11-02 WO disclosed
US-20210363189-A1 COMBINATION THERAPY OF PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS INC (US) 2021-11-25 US disclosed
WO-2019101729-A1 A DOUBLE-LABELED PROBE FOR MOLECULAR IMAGING AND USE THEREOF DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2019-05-31 WO disclosed
US-20170360881-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF AILERON THERAPEUTICS, INC. 2017-12-21 US disclosed
US-20170349638-A1 COMPANION DIAGNOSTIC TOOL FOR PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2017-12-07 US disclosed
WO-2017197055-A1 HETEROCYCLIC DEGRONIMERS FOR TARGET PROTEIN DEGRADATION C4 THERAPEUTICS, INC. (US) 2017-11-16 WO disclosed
US-20170299576-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2017-10-19 US disclosed
US-20170298099-A1 BIOLOGICALLY ACTIVE PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2017-10-19 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-9790262-B2 Compositions comprising glucagon analogs and methods of making and using the same LONGEVITY BIOTECH, INC. (US) 2017-10-17 US disclosed
US-20120149648-A1 THERAPEUTIC PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2012-06-14 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-20110250685-A1 COMPOSITIONS AND METHODS FOR ENHANCING CELLULAR TRANSPORT OF BIOMOLECULES NASH HUW M 2011-10-13 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-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 (14 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 GBA1 4570/4885HRH4 1806/4885HRH3 1158/4885
US-20090326192-A1 BIOLOGICALLY ACTIVE PEPTIDOMIMETIC MACROCYCLES VIP, ANPEP, DNPEP GBA1 280/4885HRH4 4460/4885HRH3 3972/4885
US-20110223149-A1 PEPTIDOMIMETIC MACROCYCLES PREP, ANPEP, DNPEP GBA1 1017/4885HRH4 4083/4885HRH3 3193/4885
US-20170349638-A1 COMPANION DIAGNOSTIC TOOL FOR PEPTIDOMIMETIC MACROCYCLES TP53, TP53BP1, VHL GBA1 2917/4885HRH4 4179/4885HRH3 4144/4885
US-20120040889-A1 PEPTIDOMIMETIC MACROCYCLES ZC3HAV1, HAVCR2, ZC3HAV1L GBA1 998/4885HRH4 2978/4885HRH3 2750/4885
US-20120115783-A1 PEPTIDOMIMETIC MACROCYCLES GLP1R, PROKR1, VIP GBA1 669/4885HRH4 1851/4885HRH3 2016/4885
US-20110250685-A1 COMPOSITIONS AND METHODS FOR ENHANCING CELLULAR TRANSPORT OF BIOMOLECULES SLC29A2, SLC29A1, SLC22A3 GBA1 568/4885HRH4 4816/4885HRH3 3990/4885
US-20170298099-A1 BIOLOGICALLY ACTIVE PEPTIDOMIMETIC MACROCYCLES VIP, ANPEP, DNPEP GBA1 280/4885HRH4 4460/4885HRH3 3972/4885
US-20100298201-A1 PEPTIDOMIMETIC MACROCYCLES WITH IMPROVED PROPERTIES VIP, ANPEP, NGLY1 GBA1 946/4885HRH4 4246/4885HRH3 3700/4885
US-20170299576-A1 PEPTIDOMIMETIC MACROCYCLES CCL2, TAP2, TAP1 GBA1 2752/4885HRH4 4334/4885HRH3 3879/4885
US-20090275519-A1 Therapeutic peptidomimetic macrocycles PCNA, MKI67, NFATC1 GBA1 2876/4885HRH4 3022/4885HRH3 2281/4885
US-20120149648-A1 THERAPEUTIC PEPTIDOMIMETIC MACROCYCLES PCNA, MKI67, NFATC1 GBA1 2876/4885HRH4 3022/4885HRH3 2281/4885
US-20170360881-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF VIP, FLT3, HAVCR2 GBA1 1054/4885HRH4 2338/4885HRH3 1911/4885
US-20210363189-A1 COMBINATION THERAPY OF PEPTIDOMIMETIC MACROCYCLES BID, FLT3, GRPR GBA1 600/4885HRH4 2639/4885HRH3 2900/4885

“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.