SCHEMBL407650

SCHEMBL407650

CC(C)Cc1ccc(CC(C)C)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
GABRA1 P14867 2/20 0.37
GABRB2 P47870 2/20 0.37
ACHE P22303 2/20 0.33
ELANE P08246 1/20 0.33
GAA P10253 1/20 0.33
FAAH O00519 1/20 0.33
MGLL Q99685 1/20 0.33
HRH1 P35367 1/20 0.31
PTGS1 P23219 3/20 0.31
PTGS2 P35354 3/20 0.31
LMNA P02545 2/20 0.31
CYP2C9 P11712 2/20 0.31
AKR1C3 P42330 2/20 0.31
CXCR1 P25024 2/20 0.31
CXCR2 P25025 2/20 0.31
ALB P02768 1/20 0.31

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
SCHEMBL459430 0.90 CHRM2 (0.36) POLBL3MBTL1NPC1RAB9AGABRA1
SCHEMBL19395990 0.88 TAAR1 (0.41) POLBL3MBTL1
SCHEMBL13541829 0.88 ALDH1A1 (0.42) POLBL3MBTL1NPC1RAB9AGABRA1
SCHEMBL19600570 0.86 NPC1 (0.34) POLBL3MBTL1NPC1RAB9AGABRA1
SCHEMBL20620458 0.86 ALOX5 (0.35) POLBL3MBTL1NPC1RAB9AGABRA1
SCHEMBL104309 0.85 CHRM2 (0.50) POLBL3MBTL1NPC1RAB9ACYP2C9
SCHEMBL16213682 0.85 NPC1 (0.36) POLBL3MBTL1NPC1RAB9AGABRA1
SCHEMBL19396014 0.84 POLB (0.36) POLBL3MBTL1NPC1RAB9AALOX5
SCHEMBL8294313 0.84 ACHE (0.57) ACHEBCHE
SCHEMBL12304039 0.83 NPC1 (0.35) POLBL3MBTL1NPC1RAB9AGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951083-B2 Cyclopamine analogs INFINITY PHARMACEUTICALS, INC. (US) 2018-04-24 US disclosed
US-9879025-B2 Transfer hydrogenation of cyclopamine analogs INFINITY PHARMACEUTICALS, INC. (US) 2018-01-30 US disclosed
US-9879293-B2 Enzymatic transamination of cyclopamine analogs INFINITY PHARMACEUTICALS, INC. (US) 2018-01-30 US disclosed
US-9879025-B2 Transfer hydrogenation of cyclopamine analogs INFINITY PHARMACEUTICALS, INC. (US) 2018-01-30 US disclosed
US-20170360763-A1 METHODS OF USE OF CYCLOPAMINE ANALOGS ROYALTY SECURITY, LLC 2017-12-21 US disclosed
US-9669011-B2 Methods of use of cyclopamine analogs INFINITY PHARMACEUTICALS, INC. (US) 2017-06-06 US disclosed
US-9669011-B2 Methods of use of cyclopamine analogs INFINITY PHARMACEUTICALS, INC. (US) 2017-06-06 US disclosed
US-20170029433-A1 TRANSFER HYDROGENATION OF CYCLOPAMINE ANALOGS ROYALTY SECURITY, LLC 2017-02-02 US disclosed
US-20170029433-A1 TRANSFER HYDROGENATION OF CYCLOPAMINE ANALOGS ROYALTY SECURITY, LLC 2017-02-02 US disclosed
US-20170022212-A1 CYCLOPAMINE ANALOGS ROYALTY SECURITY, LLC 2017-01-26 US disclosed
US-20080306127-A9 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2008-12-11 US disclosed
US-20080293755-A1 Steroidal alkaloids that can be used in the treatment of hedgehog pathway related disorders, particularly cancer and psoriasis INFINITY DISCOVERY, INC. (US) 2008-11-27 US disclosed
US-20080293754-A1 CYCLOPAMINE ANALOGS ROYALTY SECURITY, LLC 2008-11-27 US disclosed
US-20080287420-A1 CYCLOPAMINE LACTAM ANALOGS AND METHODS OF USE THEREOF INFINITY DISCOVERY, INC. (US) 2008-11-20 US disclosed
US-20080269272-A1 CYCLOPAMINE ANALOGUES AND METHODS OF USE THEREOF ROYALTY SECURITY, LLC 2008-10-30 US disclosed
US-7407967-B2 Cyclopamine analogues and methods of use thereof INFINITY PHARMACEUTICALS, INC. (US) 2008-08-05 US disclosed
US-20070191410-A1 CYCLOPAMINE ANALOGUES AND METHODS OF USE THEREOF ROYALTY SECURITY, LLC 2007-08-16 US disclosed
US-20070161690-A1 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2007-07-12 US disclosed
US-20070155705-A1 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2007-07-05 US disclosed
US-7230004-B2 Cyclopamine analogues and methods of use thereof INFINITY DISCOVERY, INC. (US) 2007-06-12 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-20080293755-A1 Steroidal alkaloids that can be used in the treatment of hedgehog pathway related disorders, particularly cancer and psoriasis SHH, SMO, GLI1 POLB 4332/4885L3MBTL1 4335/4885NPC1 906/4885
US-20170360763-A1 METHODS OF USE OF CYCLOPAMINE ANALOGS PDE6C, CRYAB, TUBB3 POLB 2208/4885L3MBTL1 4789/4885NPC1 252/4885
US-20080287420-A1 CYCLOPAMINE LACTAM ANALOGS AND METHODS OF USE THEREOF SHH, GLI1, SMO POLB 4501/4885L3MBTL1 1813/4885NPC1 805/4885
US-20070191410-A1 CYCLOPAMINE ANALOGUES AND METHODS OF USE THEREOF SHH, SMO, GLI1 POLB 3667/4885L3MBTL1 1235/4885NPC1 824/4885
US-20080306127-A9 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners BCL3, BCL2, BCLAF1 POLB 2857/4885L3MBTL1 963/4885NPC1 2462/4885
US-20170022212-A1 CYCLOPAMINE ANALOGS PDE6C, GLI1, SHH POLB 4597/4885L3MBTL1 4598/4885NPC1 196/4885
US-20170029433-A1 TRANSFER HYDROGENATION OF CYCLOPAMINE ANALOGS HVCN1, KCNQ4, KCNQ5 POLB 2806/4885L3MBTL1 2640/4885NPC1 1065/4885
US-20070161690-A1 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners BCL3, BCL2, BCLAF1 POLB 2857/4885L3MBTL1 963/4885NPC1 2462/4885
US-20080293754-A1 CYCLOPAMINE ANALOGS GLI1, PDE6C, SHH POLB 4680/4885L3MBTL1 4611/4885NPC1 159/4885
US-20080269272-A1 CYCLOPAMINE ANALOGUES AND METHODS OF USE THEREOF SHH, SMO, GLI1 POLB 3667/4885L3MBTL1 1235/4885NPC1 824/4885
US-20070155705-A1 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners BCL3, BCL2, BCL2L1 POLB 2072/4885L3MBTL1 877/4885NPC1 2243/4885

“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.