SCHEMBL12301890

SCHEMBL12301890

Cc1ccc(C(=O)NCC(C)(C)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.57
▸ RAB9A P51151 5/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ LMNA P02545 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ ALDH1A1 P00352 3/20 0.53
▸ GAA P10253 1/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ HDAC1 Q13547 1/20 0.52
▸ HDAC6 Q9UBN7 1/20 0.52
▸ MAPT P10636 2/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ NAMPT P43490 1/20 0.51
▸ KMT2A Q03164 1/20 0.50
▸ MMP13 P45452 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ MAPK14 Q16539 1/20 0.47

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
SCHEMBL6024562 0.87 NPC1 (0.58) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL20788451 0.84 OGG1 (0.53) NPC1RAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL13655599 0.84 NPC1 (0.55) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL16418403 0.84 NPC1 (0.55) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL3815685 0.84 NPC1 (0.55) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL21590340 0.83 PRSS1 (0.65) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL14297358 0.82 NPC1 (0.54) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL13157756 0.82 NPC1 (0.54) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL14297354 0.82 NPC1 (0.62) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL397853 0.81 LMNA (0.56) NPC1RAB9ASMN1; SMN2LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2022-05-24 — — US disclosed
US-20210238165-A1 HETEROARYL RHEB INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2021-08-05 — — US disclosed
EP-1757582-B1 ARYLALKYLAMINES AND PROCESS FOR PRODUCTION THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2015-12-30 — — EP disclosed
US-8759387-B2 Arylalkylamine compound and process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-06-24 — — US disclosed
US-8759387-B2 Arylalkylamine compound and process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-06-24 — — US disclosed
US-8703721-B2 Arylalkylamine compound and process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-04-22 — — US disclosed
US-8703721-B2 Arylalkylamine compound and process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-04-22 — — US disclosed
US-20140080770-A1 ARYLALKYLAMINE COMPOUND AND PROCESS FOR PREPARING THE SAME MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-03-20 — — US disclosed
US-20140080770-A1 ARYLALKYLAMINE COMPOUND AND PROCESS FOR PREPARING THE SAME MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-03-20 — — US disclosed
US-8492111-B2 Arylalkylamine compound and process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-07-23 — — US disclosed
US-8492111-B2 Arylalkylamine compound and process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-07-23 — — US disclosed
US-20130150374-A1 ARYLALKYLAMINE COMPOUND AND PROCESS FOR PREPARING THE SAME MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-13 — — US disclosed
US-20130150374-A1 ARYLALKYLAMINE COMPOUND AND PROCESS FOR PREPARING THE SAME MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-13 — — US disclosed
US-8362274-B2 Arylalkylamine compound and process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-01-29 — — US disclosed
US-8362274-B2 Arylalkylamine compound and process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-01-29 — — US disclosed
US-20110218160-A1 ARYLALKYLAMINE COMPOUND AND PROCESS FOR PREPARING THE SAME MIYAZAKI HIROSHI 2011-09-08 — — US disclosed
US-20110218160-A1 ARYLALKYLAMINE COMPOUND AND PROCESS FOR PREPARING THE SAME MIYAZAKI HIROSHI 2011-09-08 — — US disclosed
US-20070225296-A1 Arylalkylamine Compound and Process for Preparing the Same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-09-27 — — US disclosed
US-20070225296-A1 Arylalkylamine Compound and Process for Preparing the Same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-09-27 — — 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 (6 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-20210238165-A1 HETEROARYL RHEB INHIBITORS AND USES THEREOF RHEB, KRAS, NRAS NPC1 868/4885RAB9A 35/4885SMN1; SMN2 4200/4885
US-20140080770-A1 ARYLALKYLAMINE COMPOUND AND PROCESS FOR PREPARING THE SAME NAT1, INMT, ARSA NPC1 91/4885RAB9A 898/4885SMN1; SMN2 3351/4885
US-20110218160-A1 ARYLALKYLAMINE COMPOUND AND PROCESS FOR PREPARING THE SAME CASR, CNR1, CNR2 NPC1 1831/4885RAB9A 1422/4885SMN1; SMN2 3720/4885
US-20130150374-A1 ARYLALKYLAMINE COMPOUND AND PROCESS FOR PREPARING THE SAME CASR, CNR1, HCAR1 NPC1 1418/4885RAB9A 1353/4885SMN1; SMN2 4242/4885
US-20070225296-A1 Arylalkylamine Compound and Process for Preparing the Same CASR, CNR1, CNR2 NPC1 1831/4885RAB9A 1422/4885SMN1; SMN2 3720/4885
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof RHEB, GDI2, KRAS NPC1 403/4885RAB9A 31/4885SMN1; SMN2 2458/4885

“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.

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