SCHEMBL5021139

SCHEMBL5021139

CCCCn1cc(CCCCCC(C)C)nn1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.54
HRH3 Q9Y5N1 2/20 0.54
CYP19A1 P11511 6/20 0.51
GBA1 P04062 8/20 0.50
EPHX2 P34913 1/20 0.49
GGPS1 O95749 2/20 0.44

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
SCHEMBL18493346 1.00 HRH4 (0.54) HRH4HRH3CYP19A1GBA1EPHX2
SCHEMBL18488738 0.98 HRH4 (0.53) HRH4HRH3CYP19A1GBA1EPHX2
SCHEMBL18494157 0.96 HRH4 (0.56) HRH4HRH3CYP19A1GBA1EPHX2
SCHEMBL18493347 0.96 HRH4 (0.56) HRH4HRH3CYP19A1GBA1EPHX2
SCHEMBL22762136 0.96 HRH4 (0.56) HRH4HRH3CYP19A1GBA1EPHX2
SCHEMBL18489275 0.96 HRH4 (0.56) HRH4HRH3CYP19A1GBA1EPHX2
SCHEMBL19479091 0.96 HRH4 (0.56) HRH4HRH3CYP19A1GBA1EPHX2
SCHEMBL19300362 0.96 HRH4 (0.56) HRH4HRH3CYP19A1GBA1EPHX2
SCHEMBL23918008 0.94 GBA1 (0.53) HRH4HRH3CYP19A1GBA1EPHX2
SCHEMBL21671071 0.94 GBA1 (0.53) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200085908-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF AILERON THERAPEUTICS, INC. 2020-03-19 US disclosed
US-10543255-B2 Peptides comprising non-natural amino acids and methods of making and using the same LONGEVITY BIOTECH, INC. (US) 2020-01-28 US disclosed
US-10308699-B2 Peptidomimetic macrocycles AILERON THERAPEUTICS, INC. (US) 2019-06-04 US disclosed
US-20180193423-A1 PEPTIDES COMPRISING NON-NATURAL AMINO ACIDS AND METHODS OF MAKING AND USING THE SAME LONGEVITY BIOTECH, INC. 2018-07-12 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-20170226177-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2017-08-10 US disclosed
US-20130072439-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2013-03-21 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-7981999-B2 Peptidomimetics; kits; macrocyclization AILERON THERAPEUTICS, INC. (US) 2011-07-19 US disclosed
US-20100216688-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2010-08-26 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 (11 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-20180193423-A1 PEPTIDES COMPRISING NON-NATURAL AMINO ACIDS AND METHODS OF MAKING AND USING THE SAME APLNR, SCTR, GIPR HRH4 1253/4885HRH3 1725/4885CYP19A1 3820/4885
US-20080262200-A1 Triazole Macrocycle Systems FLT3, VIP, NGLY1 HRH4 1806/4885HRH3 1158/4885CYP19A1 2366/4885
US-10308699-B2 Peptidomimetic macrocycles GHRHR, GHSR, GHITM HRH4 1954/4885HRH3 2166/4885CYP19A1 154/4885
US-20170226177-A1 PEPTIDOMIMETIC MACROCYCLES GHRHR, GHSR, GHITM HRH4 1954/4885HRH3 2166/4885CYP19A1 154/4885
US-20200085908-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF TP53, TP53BP1, MDM2 HRH4 4471/4885HRH3 4541/4885CYP19A1 939/4885
US-20100216688-A1 PEPTIDOMIMETIC MACROCYCLES CCL2, TAP2, TAP1 HRH4 4334/4885HRH3 3879/4885CYP19A1 3811/4885
US-20130072439-A1 PEPTIDOMIMETIC MACROCYCLES TCF4, WNT1, CTNNB1 HRH4 1310/4885HRH3 2149/4885CYP19A1 3129/4885
US-20120040889-A1 PEPTIDOMIMETIC MACROCYCLES ZC3HAV1, HAVCR2, ZC3HAV1L HRH4 2978/4885HRH3 2750/4885CYP19A1 3662/4885
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-10543255-B2 Peptides comprising non-natural amino acids and methods of making and using the same APLNR, SCTR, GIPR HRH4 1253/4885HRH3 1725/4885CYP19A1 3820/4885

“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.