SCHEMBL13629203

SCHEMBL13629203

CC(C)(C)N1CCN(c2ccccc2)C(=O)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
SIGMAR1 Q99720 1/20 0.41
CTSG P08311 5/20 0.40
CMA1 P23946 5/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
OPRM1 P35372 1/20 0.39
GRIN1 Q05586 1/20 0.39
KCNH2 Q12809 1/20 0.39
GRIN2A Q12879 1/20 0.39

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
SCHEMBL15415868 0.83 P2RX7 (0.43) NPC1RAB9AMEN1KMT2ACTSG
SCHEMBL24719495 0.82 ALDH1A1 (0.48) MEN1KMT2AALDH1A1HPGD
SCHEMBL156594 0.77 NPC1 (0.55) NPC1RAB9AMEN1KMT2ASIGMAR1
SCHEMBL9834330 0.74 KMT2A (0.61) NPC1RAB9AMEN1KMT2ASIGMAR1
SCHEMBL21959663 0.74 KMT2A (0.57) NPC1RAB9AMEN1KMT2ASIGMAR1
SCHEMBL24719496 0.74 LPL (0.36) ALDH1A1
SCHEMBL14894862 0.73 HRH3 (0.37) ALDH1A1MAPTHPGD
SCHEMBL19563463 0.73 KMT2A (0.55) NPC1RAB9AMEN1KMT2ASIGMAR1
SCHEMBL13637811 0.72 CHRNA7 (0.53) NPC1RAB9AMEN1KMT2ASIGMAR1
SCHEMBL13256438 0.72 NPC1 (0.50) NPC1RAB9AMEN1KMT2ASIGMAR1

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-11771697-B2 Small molecule degraders of polybromo-1 (PBRM1) DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-10-03 US disclosed
US-9522145-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-12-20 US disclosed
US-20160244457-A1 SELECTIVE EFFLUX INHIBITORS AND RELATED PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATMENT UNIV KANSAS (US) 2016-08-25 US disclosed
US-20150197526-A1 SELECTIVE EFFLUX INHIBITORS AND RELATED PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATMENT UNIVERSITY OF KANSAS 2015-07-16 US disclosed
US-20150190390-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2015-07-09 US disclosed
US-9056111-B1 Selective efflux inhibitors and related pharmaceutical compositions and methods of treatment STC.UNM (US) 2015-06-16 US disclosed
US-9012473-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-04-21 US disclosed
US-20140206689-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-07-24 US disclosed
US-8722704-B2 Modulators of ATP-binding cassette-transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-05-13 US disclosed
US-20130296364-A1 MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-07 US disclosed
US-8507524-B2 Modulators of ATP-binding cassette-transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-13 US disclosed
US-7618971-B2 Mitotic kinesin inhibitors MERCK & CO. INC. (US) 2009-11-17 US disclosed
US-20090143381-A1 MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2009-06-04 US disclosed
US-20080027058-A1 Mitotic Kinesin Inhibitors MERCK SHARP & DOHME CORP. 2008-01-31 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 (8 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-20150197526-A1 SELECTIVE EFFLUX INHIBITORS AND RELATED PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATMENT ABCB1, ABCG2, ABCC5 NPC1 31/4885RAB9A 1607/4885MEN1 4087/4885
US-20150190390-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 NPC1 32/4885RAB9A 2104/4885MEN1 4792/4885
US-20080027058-A1 Mitotic Kinesin Inhibitors KIF5B, KIF2C, KIF23 NPC1 1071/4885RAB9A 1651/4885MEN1 2339/4885
US-20130296364-A1 MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS CFTR, ABCB1, ABCC2 NPC1 31/4885RAB9A 1983/4885MEN1 4755/4885
US-11771697-B2 Small molecule degraders of polybromo-1 (PBRM1) PBRM1, SMARCC1, SMARCC2 NPC1 3398/4885RAB9A 2293/4885MEN1 1906/4885
US-20160244457-A1 SELECTIVE EFFLUX INHIBITORS AND RELATED PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATMENT ABCB1, ABCG2, ABCC5 NPC1 31/4885RAB9A 1607/4885MEN1 4087/4885
US-20090143381-A1 MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS CFTR, ABCB1, ABCC2 NPC1 31/4885RAB9A 1983/4885MEN1 4755/4885
US-20140206689-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 NPC1 28/4885RAB9A 2101/4885MEN1 4705/4885

“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.