SCHEMBL3533255

SCHEMBL3533255

CCCCc1cn(CCCCCC(C)C)nn1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 12/20 0.53
HRH4 Q9H3N8 2/20 0.51
HRH3 Q9Y5N1 2/20 0.51
EPHX2 P34913 1/20 0.49
CYP19A1 P11511 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
GGPS1 O95749 1/20 0.43

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
SCHEMBL21671071 1.00 GBA1 (0.53) GBA1HRH4HRH3EPHX2CYP19A1
SCHEMBL23918008 1.00 GBA1 (0.53) GBA1HRH4HRH3EPHX2CYP19A1
SCHEMBL18391502 0.98 GBA1 (0.51) GBA1HRH4HRH3EPHX2CYP19A1
SCHEMBL18489275 0.96 HRH4 (0.56) GBA1HRH4HRH3EPHX2CYP19A1
SCHEMBL22762136 0.96 HRH4 (0.56) GBA1HRH4HRH3EPHX2CYP19A1
SCHEMBL19300362 0.96 HRH4 (0.56) GBA1HRH4HRH3EPHX2CYP19A1
SCHEMBL18493347 0.96 HRH4 (0.56) GBA1HRH4HRH3EPHX2CYP19A1
SCHEMBL18494157 0.96 HRH4 (0.56) GBA1HRH4HRH3EPHX2CYP19A1
SCHEMBL19479091 0.96 HRH4 (0.56) GBA1HRH4HRH3EPHX2CYP19A1
SCHEMBL5021139 0.94 HRH4 (0.54) GBA1HRH4HRH3EPHX2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10905739-B2 Peptidomimetic macrocycles and formulations thereof AILERON THERAPEUTICS, INC. (US) 2021-02-02 US disclosed
US-20200308236-A1 STAPLED INTRACELLULAR-TARGETING ANTIMICROBIAL PEPTIDES TO TREAT INFECTION DANA-FARBER CANCER INSTITUTE, INC. 2020-10-01 US disclosed
US-20190225650-A1 PEPTIDOMIMETIC MACROCYCLES AND USE THEREOF IN REGULATING HIF1ALPHA AILERON THERAPEUTICS, INC. 2019-07-25 US disclosed
US-20170360881-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF AILERON THERAPEUTICS, INC. 2017-12-21 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-9782454-B2 Highly active polypeptides and methods of making and using the same LONGEVITY BIOTECH, INC. (US) 2017-10-10 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-20120101047-A1 PEPTIDOMIMETIC MACROCYCLES Aileron Therapetics Inc. (US) 2012-04-26 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

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-20190225650-A1 PEPTIDOMIMETIC MACROCYCLES AND USE THEREOF IN REGULATING HIF1ALPHA HIF1A, HIF1AN, EGLN3 GBA1 3206/4885HRH4 1456/4885HRH3 875/4885
US-20120101047-A1 PEPTIDOMIMETIC MACROCYCLES GLP1R, PROKR1, VIP GBA1 669/4885HRH4 1851/4885HRH3 2016/4885
US-10905739-B2 Peptidomimetic macrocycles and formulations thereof MDM2, TP53, TP53BP1 GBA1 3276/4885HRH4 3864/4885HRH3 3432/4885
US-20200308236-A1 STAPLED INTRACELLULAR-TARGETING ANTIMICROBIAL PEPTIDES TO TREAT INFECTION VIP, SPPL2B, HM13 GBA1 1462/4885HRH4 3426/4885HRH3 2932/4885
US-20100216688-A1 PEPTIDOMIMETIC MACROCYCLES CCL2, TAP2, TAP1 GBA1 2752/4885HRH4 4334/4885HRH3 3879/4885
US-20130072439-A1 PEPTIDOMIMETIC MACROCYCLES TCF4, WNT1, CTNNB1 GBA1 4683/4885HRH4 1310/4885HRH3 2149/4885
US-20120115783-A1 PEPTIDOMIMETIC MACROCYCLES GLP1R, PROKR1, VIP GBA1 669/4885HRH4 1851/4885HRH3 2016/4885
US-20110144303-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-20170360881-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF VIP, FLT3, HAVCR2 GBA1 1054/4885HRH4 2338/4885HRH3 1911/4885

“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.