SCHEMBL867897

SCHEMBL867897

CN(CC=O)C(=O)CCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.68
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
MEN1 O00255 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
HTT P42858 1/20 0.54
ALDH1A1 P00352 1/20 0.50
ALOX5 P09917 2/20 0.49
KEAP1 Q14145 1/20 0.48
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
FFAR1 O14842 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MLYCD O95822 1/20 0.45
CDK4 P11802 1/20 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
SCHEMBL4216337 0.85 KMT2A (0.50) KMT2ANPC1RAB9AMEN1L3MBTL1
SCHEMBL4064581 0.81 KMT2A (1.00) KMT2ANPC1RAB9AMEN1L3MBTL1
SCHEMBL14219225 0.81 KMT2A (0.74) KMT2ANPC1RAB9AMEN1L3MBTL1
SCHEMBL5317107 0.80 KMT2A (0.44) KMT2AHTTFFAR1
SCHEMBL7374914 0.79 KMT2A (0.72) KMT2ANPC1RAB9AMEN1L3MBTL1
SCHEMBL14855354 0.79 KMT2A (0.62) KMT2ANPC1RAB9AMEN1L3MBTL1
SCHEMBL3366949 0.78 KMT2A (0.70) KMT2ANPC1RAB9AMEN1L3MBTL1
SCHEMBL8188967 0.78 KMT2A (0.70) KMT2ANPC1RAB9AMEN1L3MBTL1
Hydrochloric Acid SCHEMBL3136984 0.77 KMT2A (0.68) KMT2ANPC1RAB9AMEN1L3MBTL1
Water SCHEMBL3678915 0.77 KMT2A (0.68) KMT2ANPC1RAB9AMEN1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11602527-B2 Methods of use of cyclopamine analogs INFINITY PHARMACEUTICALS, INC. (US) 2023-03-14 US disclosed
US-20210275508-A1 METHODS OF USE OF CYCLOPAMINE ANALOGS INFINITY PHARMACEUTICALS, INC. 2021-09-09 US disclosed
US-11007181-B2 Cyclopamine analogs INFINITY PHARMACEUTICALS, INC. (US) 2021-05-18 US disclosed
US-10821102-B2 Methods of use of cyclopamine analogs INFINITY PHARMACEUTICALS, INC. (US) 2020-11-03 US disclosed
US-20200121658-A1 CYCLOPAMINE ANALOGS ROYALTY SECURITY, LLC 2020-04-23 US disclosed
US-10406139-B2 Cyclopamine analogs INFINITY PHARMACEUTICALS, INC. (US) 2019-09-10 US disclosed
US-10314827-B2 Methods of use of cyclopamine analogs INFINITY PHARMACEUTICALS, INC. (US) 2019-06-11 US disclosed
US-20190000816-A1 CYCLOPAMINE ANALOGS ROYALTY SECURITY, LLC 2019-01-03 US disclosed
US-20180338962-A1 METHODS OF USE OF CYCLOPAMINE ANALOGS ROYALTY SECURITY, LLC 2018-11-29 US disclosed
US-9951083-B2 Cyclopamine analogs INFINITY PHARMACEUTICALS, INC. (US) 2018-04-24 US disclosed
US-8017648-B2 Methods of use of cyclopamine analogs INFINITY PHARMACEUTICALS, INC. (US) 2011-09-13 US disclosed
US-20100286180-A1 METHODS OF USE OF CYCLOPAMINE ANALOGS INFINITY PHARMACEUTICALS, INC. (US) 2010-11-11 US disclosed
US-7812164-B2 steroidal alkaloids; for treatment of disorders mediated by hedgehog pathway such as cancer INFINITY PHARMACEUTICALS, INC. (US) 2010-10-12 US disclosed
EP-2101580-A2 METHODS OF USE FOR CYCLOPAMINE ANALOGS Infinity Discovery, Inc. (US) 2009-09-23 EP disclosed
EP-2096917-A2 CYCLOPAMINE ANALOGS Infinity Discovery, Inc. (US) 2009-09-09 EP disclosed
US-20090216022-A1 CYCLOPAMINE ANALOGS ROYALTY SECURITY, LLC 2009-08-27 US disclosed
US-20090012109-A1 CYCLOPAMINE ANALOGS ROYALTY SECURITY, LLC 2009-01-08 US disclosed
US-20080293754-A1 CYCLOPAMINE ANALOGS ROYALTY SECURITY, LLC 2008-11-27 US disclosed
WO-2008083252-A2 METHODS OF USE FOR CYCLOPAMINE ANALOGS INFINITY DISCOVERY, INC. (US) 2008-07-10 WO disclosed
WO-2008083248-A2 CYCLOPAMINE ANALOGS INFINITY DISCOVERY, INC. (US) 2008-07-10 WO 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 (13 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-10821102-B2 Methods of use of cyclopamine analogs PDE6C, CRYAB, TUBB3 KMT2A 3923/4885NPC1 252/4885RAB9A 2511/4885
US-11007181-B2 Cyclopamine analogs PDE6C, GLI1, SHH KMT2A 4039/4885NPC1 196/4885RAB9A 1245/4885
US-20190000816-A1 CYCLOPAMINE ANALOGS PDE6C, GLI1, SHH KMT2A 4039/4885NPC1 196/4885RAB9A 1245/4885
US-10406139-B2 Cyclopamine analogs PDE6C, GLI1, SHH KMT2A 4039/4885NPC1 196/4885RAB9A 1245/4885
US-20090012109-A1 CYCLOPAMINE ANALOGS GLI1, PDE6C, SHH KMT2A 3766/4885NPC1 159/4885RAB9A 925/4885
US-20090216022-A1 CYCLOPAMINE ANALOGS GLI1, PDE6C, SHH KMT2A 3766/4885NPC1 159/4885RAB9A 925/4885
US-20210275508-A1 METHODS OF USE OF CYCLOPAMINE ANALOGS PDE6C, CRYAB, TUBB3 KMT2A 3923/4885NPC1 252/4885RAB9A 2511/4885
US-20200121658-A1 CYCLOPAMINE ANALOGS PDE6C, GLI1, SHH KMT2A 4039/4885NPC1 196/4885RAB9A 1245/4885
US-11602527-B2 Methods of use of cyclopamine analogs PDE6C, CRYAB, TUBB3 KMT2A 3923/4885NPC1 252/4885RAB9A 2511/4885
US-20180338962-A1 METHODS OF USE OF CYCLOPAMINE ANALOGS PDE6C, CRYAB, TUBB3 KMT2A 3923/4885NPC1 252/4885RAB9A 2511/4885
US-20100286180-A1 METHODS OF USE OF CYCLOPAMINE ANALOGS PDE6C, CRYAB, TUBB3 KMT2A 3923/4885NPC1 252/4885RAB9A 2511/4885
US-20080293754-A1 CYCLOPAMINE ANALOGS GLI1, PDE6C, SHH KMT2A 3766/4885NPC1 159/4885RAB9A 925/4885
US-10314827-B2 Methods of use of cyclopamine analogs PDE6C, CRYAB, TUBB3 KMT2A 3923/4885NPC1 252/4885RAB9A 2511/4885

“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.