SCHEMBL446628

SCHEMBL446628

CC(C)(C)c1ccc(NC(=O)c2ccc(F)nc2F)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 6/20 0.52
▸ RAB9A P51151 4/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ XBP1 P17861 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ HDAC3 O15379 1/20 0.50
▸ HDAC11 Q96DB2 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ GAA P10253 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ DHPS P49366 1/20 0.46
▸ NAMPT P43490 1/20 0.46

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
SCHEMBL23309514 0.83 TRPV1 (0.50) TRPV1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL444553 0.79 TRPV1 (0.60) TRPV1DHPSNAMPT
SCHEMBL23309554 0.77 TRPV1 (0.63) TRPV1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL427760 0.76 KDR (0.60) —
SCHEMBL9284694 0.74 CFTR (0.63) TRPV1RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL7303163 0.72 HDAC3 (0.86) TRPV1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL7301130 0.72 TRPV1 (0.76) TRPV1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL21652312 0.72 TRPV1 (0.76) TRPV1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL1687868 0.72 TRPV1 (0.76) TRPV1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL1687870 0.71 MEN1 (0.69) TRPV1RAB9ANPC1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 — — US disclosed
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2013-10-17 — — US disclosed
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-03-15 — — US disclosed
US-8058445-B2 Substituted pyridinecarboxamides for the treatment of cancer AMGEN INC. (US) 2011-11-15 — — US disclosed
EP-2311829-A1 Substituted alkylamine derivatives and methods of use Amgen Inc. (US) 2011-04-20 — — EP disclosed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 — — US disclosed
EP-1798230-A1 Substituted alkylamine derivatives and methods of use Amgen Inc. (US) 2007-06-20 — — EP disclosed
US-20060040956-A1 Substituted alkylamine derivatives and methods of use CHEN GUOQING 2006-02-23 — — US disclosed
US-6995162-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2006-02-07 — — US disclosed
US-20050261313-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2005-11-24 — — US disclosed
US-6878714-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2005-04-12 — — US disclosed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 — — US disclosed
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-07-03 — — 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-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC TRPV1 3244/4885RAB9A 2919/4885NPC1 591/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO TRPV1 3062/4885RAB9A 3627/4885NPC1 650/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO TRPV1 3005/4885RAB9A 3440/4885NPC1 434/4885
US-20050261313-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC TRPV1 3244/4885RAB9A 2919/4885NPC1 591/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO TRPV1 3005/4885RAB9A 3440/4885NPC1 434/4885
US-20060040956-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO TRPV1 3062/4885RAB9A 3627/4885NPC1 650/4885

“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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