SCHEMBL3534568

SCHEMBL3534568

CCNNC(=O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.36
RAB9A P51151 1/20 0.34
HTT P42858 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CNR2 P34972 1/20 0.31
CYP1A2 P05177 1/20 0.30
PKM P14618 1/20 0.30
PTK2B Q14289 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL6635766 0.77 HDAC3 (0.50) LMNAL3MBTL1HTTHDAC3HDAC1
SCHEMBL6635776 0.76 L3MBTL1 (0.46) LMNAL3MBTL1KDM4ECYP1A2PKM
SCHEMBL22768527 0.75 MMP8 (0.33) L3MBTL1RAB9AHTT
SCHEMBL1512247 0.75
SCHEMBL6636353 0.73 HDAC1 (0.53) HDAC3HDAC1HDAC6
SCHEMBL6639593 0.73 CYP2D6 (0.39) L3MBTL1HTTKDM4EHDAC3
SCHEMBL1346149 0.72
SCHEMBL23943316 0.72 LMNA (0.30) LMNAL3MBTL1HTT
SCHEMBL14535559 0.72 LMNA (0.34) LMNA
SCHEMBL12654606 0.72 L3MBTL1 (0.32) L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399405-B2 Peptidomimetic macrocycles AILERON THERAPEUTICS, INC. (US) 2013-03-19 US disclosed
US-20120190818-A1 TRIAZOLE MACROCYCLE SYSTEMS AILERON THERAPEUTICS, INC. (US) 2012-07-26 US disclosed
US-20120178700-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2012-07-12 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-20120115793-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-20120040889-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS INC. (US) 2012-02-16 US disclosed
US-20110144303-A1 Biologically Active Peptidomimetic Macrocycles AILERON THERAPEUTICS, INC. (US) 2011-06-16 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
EP-1420044-A2 Rubber composition and pneumatic tire Bridgestone Corporation (JP) 2004-05-19 EP disclosed
US-6380288-B1 LOW HEAT GENERATION PROPERTY, AGING REISTANCE, ALSO FOR PRODUCING VIBRATION ISOLATORS, BELTS AND HOSES AS WELL AS TIRE MATERIALS SUCH AS TIRE TREADS, UNDERTREADS, CARCASSES, SIDE WALLS AND BEADS BRIDGESTONE CORPORATION 2002-04-30 US disclosed
EP-0909788-A1 RUBBER COMPOSITION AND PNEUMATIC TIRES Bridgestone Corporation (JP) 1999-04-21 EP 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-20080262200-A1 Triazole Macrocycle Systems FLT3, VIP, NGLY1 LMNA 4013/4885L3MBTL1 1750/4885RAB9A 4236/4885
US-20120101047-A1 PEPTIDOMIMETIC MACROCYCLES GLP1R, PROKR1, VIP LMNA 3419/4885L3MBTL1 709/4885RAB9A 4343/4885
US-20120190818-A1 TRIAZOLE MACROCYCLE SYSTEMS FLT3, VIP, NGLY1 LMNA 4013/4885L3MBTL1 1750/4885RAB9A 4236/4885
US-20120115793-A1 PEPTIDOMIMETIC MACROCYCLES GLP1R, PROKR1, VIP LMNA 3419/4885L3MBTL1 709/4885RAB9A 4343/4885
US-20100216688-A1 PEPTIDOMIMETIC MACROCYCLES CCL2, TAP2, TAP1 LMNA 2575/4885L3MBTL1 1351/4885RAB9A 4361/4885
US-20120040889-A1 PEPTIDOMIMETIC MACROCYCLES ZC3HAV1, HAVCR2, ZC3HAV1L LMNA 3672/4885L3MBTL1 509/4885RAB9A 4202/4885
US-20120115783-A1 PEPTIDOMIMETIC MACROCYCLES GLP1R, PROKR1, VIP LMNA 3419/4885L3MBTL1 709/4885RAB9A 4343/4885
US-20110144303-A1 Biologically Active Peptidomimetic Macrocycles VIP, ANPEP, DNPEP LMNA 2688/4885L3MBTL1 1368/4885RAB9A 3719/4885
US-20120172311-A1 PEPTIDOMIMETIC MACROCYCLES CCL2, TAP2, TAP1 LMNA 2575/4885L3MBTL1 1351/4885RAB9A 4361/4885
US-20120178700-A1 PEPTIDOMIMETIC MACROCYCLES GLP1R, PROKR1, VIP LMNA 3419/4885L3MBTL1 709/4885RAB9A 4343/4885

“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.